2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide

C32H37ClN2O2 — CID 133177164

IUPAC2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
SMILESCc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C32H37ClN2O2/c1-23-17-18-24(2)27(19-23)21-31(36)35(22-26-13-9-10-16-29(26)33)30(20-25-11-5-3-6-12-25)32(37)34-28-14-7-4-8-15-28/h3,5-6,9-13,16-19,28,30H,4,7-8,14-15,20-22H2,1-2H3,(H,34,37)
InChIKeyOQGOJQQMVDOZTK-UHFFFAOYSA-N
MW517.11 g/mol
LogP6.59
Rot. Bonds9

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

2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide (PubChem CID 133177164) has the molecular formula C32H37ClN2O2 and a molecular weight of 517.11 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
PubChem CID133177164
Molecular FormulaC32H37ClN2O2
Molecular Weight517.11 g/mol
Exact Mass516.25
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
SMILESCc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C32H37ClN2O2/c1-23-17-18-24(2)27(19-23)21-31(36)35(22-26-13-9-10-16-29(26)33)30(20-25-11-5-3-6-12-25)32(37)34-28-14-7-4-8-15-28/h3,5-6,9-13,16-19,28,30H,4,7-8,14-15,20-22H2,1-2H3,(H,34,37)
InChIKeyOQGOJQQMVDOZTK-UHFFFAOYSA-N
XLogP6.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.11
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-3-phenylpropanamide
CID 100537311
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 133264274
(2R)-2-[(2-chlorophenyl)methyl-[2-(3,4-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100593281
(2R)-2-[(3-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100630900
2-[(2-chlorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247720
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100580217
(2S)-N-cyclohexyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100590237
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide
CID 133177214
N-cyclopentyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 133261544
(2S)-2-[(2-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100594261
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
CID 133247823
2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263659

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide (CID 133177164) is 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide is Cc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)C(Cc2ccccc2)C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide?
The InChIKey is OQGOJQQMVDOZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN2O2/c1-23-17-18-24(2)27(19-23)21-31(36)35(22-26-13-9-10-16-29(26)33)30(20-25-11-5-3-6-12-25)32(37)34-28-14-7-4-8-15-28/h3,5-6,9-13,16-19,28,30H,4,7-8,14-15,20-22H2,1-2H3,(H,34,37).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide?
2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide has a molecular weight of 517.11 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide is sourced from PubChem (CID 133177164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).