4-Methoxy-2-methylbenzamide

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CAS Number

139583-91-8

MDL Number

MFCD12406151

Smiles

C1c (cc (c (c1) C (=O) N) C) OC

Chemical Information

4-Methoxy-2-methylbenzamide

CAS Number	139583-91-8
PubChem CID	15749771
IUPAC Name	4-methoxy-2-methylbenzamide
Molecular Formula	C9H11NO2
Molecular Weight	165.19
XLogP	1.1
Topological Polar Surface Area	52.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

CC1=C(C=CC(=C1)OC)C(=O)N

InChI

InChI=1S/C9H11NO2/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H3,(H2,10,11)

InChIKey

XBMRTZXRXPAQKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 139583-91-8

CID: 15749771

Formula: C9H11NO2

MW: 165.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.19
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	165.078978594
Monoisotopic Mass	165.078978594
Topological Polar Surface Area	52.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1003970-01	N-Methoxy-4-methylbenzamide
OR1033425-01	3-Methoxy-4-methylbenzamide
OR75091-01	4-Methoxy-N-methylbenzamide
OR900803	4-Methoxy-3-methylbenzamide
OR1048098	4-Amino-2-methoxy-N-methylbenzamide
PC1024951-01	4-Fluoro-2-methoxy-N-methylbenzamide
OR1062826-01	4-Bromo-2-methoxy-N-methylbenzamide
OR942134	2-Methoxy-6-methylbenzamide
PC1017239-01	3,4-difluoro-2-methoxy-N-methylbenzamide
PC1004040-01	2,4-Difluoro-N-methoxy-N-methylbenzamide

Catalog	Name
DAA40022-01	4-Methoxy-N-methylbenzamide
FM70945-01	3-Methoxy-4-methylbenzamide
RJB32957	4-Amino-3-methoxy-N-methylbenzamide
sc-346331A	3-amino-4-methoxy-N-methylbenzamide
XEA33437-01	4-Chloro-N-methoxy-N-methylbenzamide
LHA25252-01	4-Amino-N-methoxy-N-methylbenzamide
sc-481755	4-Fluoro-N-methoxy-N-methylbenzamide
FDC90510-01	4-Methanesulfonyl-N-methoxy-N-methylbenzamide
EEA77568-01	2-Amino-5-methoxy-N-methylbenzamide
TRC-B686943-100MG	2-Bromo-N-methoxy-N-methylbenzamide