benzene;N-methylacetamide

C9H13NO — CID 22601179

IUPACbenzene;N-methylacetamide
SMILESCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO/c1-2-4-6-5-3-1;1-3(5)4-2/h1-6H;1-2H3,(H,4,5)
InChIKeyOZYGZAXSJJALSS-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.44
Rot. Bonds

About benzene;N-methylacetamide

benzene;N-methylacetamide (PubChem CID 22601179) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is benzene;N-methylacetamide.

Molecular Properties

Compound Namebenzene;N-methylacetamide
PubChem CID22601179
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Namebenzene;N-methylacetamide
SMILESCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C3H7NO/c1-2-4-6-5-3-1;1-3(5)4-2/h1-6H;1-2H3,(H,4,5)
InChIKeyOZYGZAXSJJALSS-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze benzene;N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

n-Methylcinnamamide
CID 6039989
N-(2-Phenylethenyl)acetamide
CID 6422415
2-Azetidinone, 4-(phenylseleno)-
CID 3278057
N-[(E)-3-phenylprop-2-enyl]acetamide
CID 10035108
N-methyl-3-phenylprop-2-enamide
CID 4219099
2-(Phenylselanyl)acetamide
CID 12557564
Acetamidostyrene
CID 54032077
2-fluoro-N-methyl-2-phenylselanylacetamide
CID 11413907
2-fluoro-N,N-dimethyl-2-phenylselanylacetamide
CID 11448324
N-methyl-2-phenylselanylacetamide
CID 12156640
N-[(Z)-2-phenylethenyl]acetamide
CID 12470161
N-[(Z)-4-phenylbut-3-enyl]acetamide
CID 9990053

Frequently Asked Questions

What is the IUPAC name of benzene;N-methylacetamide?
The IUPAC name of benzene;N-methylacetamide (CID 22601179) is benzene;N-methylacetamide.
What is the SMILES notation for benzene;N-methylacetamide?
The canonical SMILES for benzene;N-methylacetamide is CNC(C)=O.c1ccccc1.
What is the InChIKey of benzene;N-methylacetamide?
The InChIKey is OZYGZAXSJJALSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H7NO/c1-2-4-6-5-3-1;1-3(5)4-2/h1-6H;1-2H3,(H,4,5).
What are the key properties of benzene;N-methylacetamide?
benzene;N-methylacetamide has a molecular weight of 151.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-methylacetamide is sourced from PubChem (CID 22601179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).