2-methyl-N-phenylpropanamide

C10H13NO — CID 20436

IUPAC2-methyl-N-phenylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChIKeyWDRCPKDLZOQCFU-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.28
Rot. Bonds2

About 2-methyl-N-phenylpropanamide

2-methyl-N-phenylpropanamide (PubChem CID 20436) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-phenylpropanamide
PubChem CID20436
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-N-phenylpropanamide
SMILESCC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)
InChIKeyWDRCPKDLZOQCFU-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-phenylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylpropanamide?
The IUPAC name of 2-methyl-N-phenylpropanamide (CID 20436) is 2-methyl-N-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-phenylpropanamide?
The canonical SMILES for 2-methyl-N-phenylpropanamide is CC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylpropanamide?
The InChIKey is WDRCPKDLZOQCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-N-phenylpropanamide?
2-methyl-N-phenylpropanamide has a molecular weight of 163.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylpropanamide is sourced from PubChem (CID 20436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).