3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide

C21H28N2O — CID 109031799

IUPAC3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c1C
InChIInChI=1S/C21H28N2O/c1-16(2)23(15-19-10-6-5-7-11-19)14-13-21(24)22-20-12-8-9-17(3)18(20)4/h5-12,16H,13-15H2,1-4H3,(H,22,24)
InChIKeyCYTDMYZQHYTABY-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.54
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide

3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 109031799) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID109031799
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c1C
InChIInChI=1S/C21H28N2O/c1-16(2)23(15-19-10-6-5-7-11-19)14-13-21(24)22-20-12-8-9-17(3)18(20)4/h5-12,16H,13-15H2,1-4H3,(H,22,24)
InChIKeyCYTDMYZQHYTABY-UHFFFAOYSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)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-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
CID 109031851
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 113220993
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122902

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide (CID 109031799) is 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCN(Cc2ccccc2)C(C)C)c1C.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is CYTDMYZQHYTABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-16(2)23(15-19-10-6-5-7-11-19)14-13-21(24)22-20-12-8-9-17(3)18(20)4/h5-12,16H,13-15H2,1-4H3,(H,22,24).
What are the key properties of 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide?
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 109031799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).