2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide

C28H32N2O2 — CID 132668468

IUPAC2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O2/c1-4-26(28(32)29-3)30(20-22-17-15-21(2)16-18-22)27(31)19-25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,25-26H,4,19-20H2,1-3H3,(H,29,32)
InChIKeyNAJSKZYCRKJOLY-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.07
Rot. Bonds9

About 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide

2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide (PubChem CID 132668468) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide.

Molecular Properties

Compound Name2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide
PubChem CID132668468
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide
SMILESCCC(C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32N2O2/c1-4-26(28(32)29-3)30(20-22-17-15-21(2)16-18-22)27(31)19-25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,25-26H,4,19-20H2,1-3H3,(H,29,32)
InChIKeyNAJSKZYCRKJOLY-UHFFFAOYSA-N
XLogP5.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide 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

(2S)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 100547623
2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132619952
(2R)-2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propylbutanamide
CID 100575770
2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-(2-methylpropyl)butanamide
CID 132986175
2-[(4-chlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-N-propan-2-ylbutanamide
CID 132944232
2-[3,3-diphenylpropanoyl-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 132943485
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100541940
(2S)-N-methyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100682890
2-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylbutanamide
CID 132681747
2-[[2-[N-(benzenesulfonyl)-3-methylanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-methylbutanamide
CID 132681101
(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
CID 100527162
(2R)-2-[benzyl-[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-methylbutanamide
CID 125067016

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide?
The IUPAC name of 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide (CID 132668468) is 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide.
What is the SMILES notation for 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide?
The canonical SMILES for 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide is CCC(C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide?
The InChIKey is NAJSKZYCRKJOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-4-26(28(32)29-3)30(20-22-17-15-21(2)16-18-22)27(31)19-25(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-18,25-26H,4,19-20H2,1-3H3,(H,29,32).
What are the key properties of 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide?
2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide has a molecular weight of 428.58 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]-N-methylbutanamide is sourced from PubChem (CID 132668468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).