3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide

C19H22N2O2 — CID 113123619

IUPAC3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1ccccc1C
InChIInChI=1S/C19H22N2O2/c1-14-8-4-6-10-17(14)20-19(23)12-13-21(16(3)22)18-11-7-5-9-15(18)2/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyQPVXHXUDNCJRGM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.69
Rot. Bonds5

About 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide

3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide (PubChem CID 113123619) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
PubChem CID113123619
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1ccccc1C
InChIInChI=1S/C19H22N2O2/c1-14-8-4-6-10-17(14)20-19(23)12-13-21(16(3)22)18-11-7-5-9-15(18)2/h4-11H,12-13H2,1-3H3,(H,20,23)
InChIKeyQPVXHXUDNCJRGM-UHFFFAOYSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide 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

3-(N-acetyl-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123621
3-(N-acetyl-2-methylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113123700
3-(N-acetyl-2-bromo-4-methylanilino)-N-(2-methylphenyl)propanamide
CID 113132716
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
methyl 3-(N-acetyl-2-methylanilino)propanoate
CID 75507009
3-(N-acetyl-2-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113126445
3-(N-acetyl-2-fluoroanilino)-N-(2-fluorophenyl)propanamide
CID 113126739
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
CID 113132296
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123650
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide (CID 113123619) is 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C)c1ccccc1C.
What is the InChIKey of 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide?
The InChIKey is QPVXHXUDNCJRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-4-6-10-17(14)20-19(23)12-13-21(16(3)22)18-11-7-5-9-15(18)2/h4-11H,12-13H2,1-3H3,(H,20,23).
What are the key properties of 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide?
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113123619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).