N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide

C32H38N2O2 — CID 133263906

IUPACN-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCc1ccc(CC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C32H38N2O2/c1-23-17-18-27(19-25(23)3)21-31(35)34(22-28-14-8-7-11-24(28)2)30(20-26-12-5-4-6-13-26)32(36)33-29-15-9-10-16-29/h4-8,11-14,17-19,29-30H,9-10,15-16,20-22H2,1-3H3,(H,33,36)
InChIKeyZYGYRJLVRXJQTD-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.85
Rot. Bonds9

About N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide

N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide (PubChem CID 133263906) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
PubChem CID133263906
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC NameN-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCc1ccc(CC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1C
InChIInChI=1S/C32H38N2O2/c1-23-17-18-27(19-25(23)3)21-31(35)34(22-28-14-8-7-11-24(28)2)30(20-26-12-5-4-6-13-26)32(36)33-29-15-9-10-16-29/h4-8,11-14,17-19,29-30H,9-10,15-16,20-22H2,1-3H3,(H,33,36)
InChIKeyZYGYRJLVRXJQTD-UHFFFAOYSA-N
XLogP5.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100576330
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100593281
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133263995
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133251482
N-cyclopentyl-2-[(2,6-dichlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 133261174
2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263659
(2S)-N-cyclohexyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100590237
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263660
(2S)-N-cyclopentyl-2-[(4-fluorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100518501
N-[(2R)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2-methylphenyl)methyl]butanamide
CID 100580796
(2R)-N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100538338
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100589536

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The IUPAC name of N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide (CID 133263906) is N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide is Cc1ccc(CC(=O)N(Cc2ccccc2C)C(Cc2ccccc2)C(=O)NC2CCCC2)cc1C.
What is the InChIKey of N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The InChIKey is ZYGYRJLVRXJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-23-17-18-27(19-25(23)3)21-31(35)34(22-28-14-8-7-11-24(28)2)30(20-26-12-5-4-6-13-26)32(36)33-29-15-9-10-16-29/h4-8,11-14,17-19,29-30H,9-10,15-16,20-22H2,1-3H3,(H,33,36).
What are the key properties of N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide has a molecular weight of 482.67 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(3,4-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 133263906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).