3-Butoxy-4-methoxybenzamide

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CAS Number

306935-35-3

MDL Number

MFCD00831076

Smiles

CCCCOc1cc (ccc1OC) C (=O) N

Chemical Information

3-Butoxy-4-methoxybenzamide

CAS Number	306935-35-3
PubChem CID	2735651
IUPAC Name	3-butoxy-4-methoxybenzamide
Molecular Formula	C12H17NO3
Molecular Weight	223.27
XLogP	2.2
Topological Polar Surface Area	61.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	220

SMILES

CCCCOC1=C(C=CC(=C1)C(=O)N)OC

InChI

InChI=1S/C12H17NO3/c1-3-4-7-16-11-8-9(12(13)14)5-6-10(11)15-2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14)

InChIKey

PUTAJFMTWWHQJO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 306935-35-3

CID: 2735651

Formula: C12H17NO3

MW: 223.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	223.27
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	223.12084340
Monoisotopic Mass	223.12084340
Topological Polar Surface Area	61.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	220
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
OR346691	3-Bromo-4-methoxybenzamide
OR25698	3- (cyclopentyloxy) -4-methoxybenzamide
OR11558-01	4-Bromo-3-methoxybenzamide
OR1002550-01	4-Formyl-3-methoxybenzamide
OR310052-01	4-Amino-3-methoxybenzamide
OR1010888-01	3-Amino-4-methoxybenzamide
OR77292-01	3-Ethoxy-4-methoxybenzamide
PC302054-01	3-Fluoro-4-methoxybenzamide
PC408253	4-Fluoro-3-methoxybenzamide
OR25451-01	4-methoxybenzamide

Catalog	Name
QXA17312-01	4-Butoxy-N-hydroxy-3-methoxybenzamide
FN66951-01	3-Nitro-4-methoxybenzamide
sc-256706	4-Bromo-3-methoxybenzamide
sc-266446	3-Amino-4-methoxybenzamide
sc-314920	4- (Difluoromethoxy) -3-methoxybenzamide
sc-506559	4-Amino-3-methoxybenzamide
abx180079-01	4-Methoxybenzamide
BDB64004	3-Fluoro-4-methoxybenzamide
RG-H250431-01	4-Hydroxy-3-Methoxybenzamide
sc-335712	3-bromo-4-methoxybenzamide