2- (Benzhydryloxy) -N-Methylacetamide

CAT: 1596-AR-D08060-01Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-D08060-01Size:150

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CAS Number

118286-16-1

Synonyms

2- (Benzhydryloxy) -N-Methylacetamide

Molecular Formula

C16H17NO2

Molecular Weight

255.3

API Name

Diphenhydramine

Chemical Information

2-(benzhydryloxy)-N-methylacetamide

CAS Number	118286-16-1
PubChem CID	19020242
IUPAC Name	2-benzhydryloxy-N-methylacetamide
Molecular Formula	C16H17NO2
Molecular Weight	255.31
XLogP	2.6
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	250

SMILES

CNC(=O)COC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO2/c1-17-15(18)12-19-16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3,(H,17,18)

InChIKey

BTSHJUXIFZAIME-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 118286-16-1

CID: 19020242

Formula: C16H17NO2

MW: 255.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.31
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	255.125928785
Monoisotopic Mass	255.125928785
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	250
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
AR-A01144-01	2-Acetamido-N-Benzyl-2-Methylacetamide
AR-N01626-01	N- (4-aminophenyl) -N-methylacetamide
AR-T01625-01	N, N-dibenzyl-2-methylpropan-2-amine
AR-P01710-01	2-oxo-N, N'-diphenylhexanehydrazide
AR-A01154-01	N, N-Diethyl-2-Hydroxyacetamide
AR-B06282-01	2- (N, N-Dimethylamino) -Benzaldehyde
AR-B02317-01	N, N-diethyl-2-phenylbutanamide
AR-F11064-01	N, N-Diethylfuran-2-Carboxamide
AR-B02102-01	N- (2-Nitrobenzyl) -N-cyclohexyl-N-methylamine
AR-A06612-01	N, N-Bis (2-hydroxyethyl) -2,4-dinitroaniline

Catalog	Name
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