N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide

C21H26N2O2 — CID 109031834

IUPACN-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)23(15-18-7-5-4-6-8-18)14-13-21(25)22-20-11-9-19(10-12-20)17(3)24/h4-12,16H,13-15H2,1-3H3,(H,22,25)
InChIKeyBPWCMQRCATVNFQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.13
Rot. Bonds8

About N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide

N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide (PubChem CID 109031834) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
PubChem CID109031834
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-16(2)23(15-18-7-5-4-6-8-18)14-13-21(25)22-20-11-9-19(10-12-20)17(3)24/h4-12,16H,13-15H2,1-3H3,(H,22,25)
InChIKeyBPWCMQRCATVNFQ-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]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-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
3-[benzyl(propan-2-yl)amino]-N-(2-bromo-4-methylphenyl)propanamide
CID 109031851
1-N-(4-acetylphenyl)-1-N'-benzyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979606
3-[acetyl(2-methylpropyl)amino]-N-(4-acetylphenyl)propanamide
CID 113116053
N-(4-acetylphenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136950
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 113220993
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
4-[3-[(2-amino-2-oxoethyl)-propan-2-ylamino]propanoylamino]benzamide
CID 55482619

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide (CID 109031834) is N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide is CC(=O)c1ccc(NC(=O)CCN(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide?
The InChIKey is BPWCMQRCATVNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)23(15-18-7-5-4-6-8-18)14-13-21(25)22-20-11-9-19(10-12-20)17(3)24/h4-12,16H,13-15H2,1-3H3,(H,22,25).
What are the key properties of N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide?
N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 109031834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).