N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide

C32H38N2O2 — CID 133264274

IUPACN-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCc1cccc(CN(C(=O)Cc2cc(C)ccc2C)C(Cc2ccccc2)C(=O)NC2CCCC2)c1
InChIInChI=1S/C32H38N2O2/c1-23-10-9-13-27(18-23)22-34(31(35)21-28-19-24(2)16-17-25(28)3)30(20-26-11-5-4-6-12-26)32(36)33-29-14-7-8-15-29/h4-6,9-13,16-19,29-30H,7-8,14-15,20-22H2,1-3H3,(H,33,36)
InChIKeyNWVXIJIFFFWBOI-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.85
Rot. Bonds9

About N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide

N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide (PubChem CID 133264274) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
PubChem CID133264274
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC NameN-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCc1cccc(CN(C(=O)Cc2cc(C)ccc2C)C(Cc2ccccc2)C(=O)NC2CCCC2)c1
InChIInChI=1S/C32H38N2O2/c1-23-10-9-13-27(18-23)22-34(31(35)21-28-19-24(2)16-17-25(28)3)30(20-26-11-5-4-6-12-26)32(36)33-29-14-7-8-15-29/h4-6,9-13,16-19,29-30H,7-8,14-15,20-22H2,1-3H3,(H,33,36)
InChIKeyNWVXIJIFFFWBOI-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

(2R)-2-[(3-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100630900
(2R)-N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100581156
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133261544
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263660
(2S)-N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100537311
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133263995
2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177164
N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133176531
N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 133264327
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-[(3-chlorophenyl)methyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248169

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide?
The IUPAC name of N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide (CID 133264274) is N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide is Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)C(Cc2ccccc2)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide?
The InChIKey is NWVXIJIFFFWBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-23-10-9-13-27(18-23)22-34(31(35)21-28-19-24(2)16-17-25(28)3)30(20-26-11-5-4-6-12-26)32(36)33-29-14-7-8-15-29/h4-6,9-13,16-19,29-30H,7-8,14-15,20-22H2,1-3H3,(H,33,36).
What are the key properties of N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide?
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-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-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 133264274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).