(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide

C32H38N2O2 — CID 100527162

IUPAC(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38N2O2/c1-2-30(32(36)33-28-21-13-6-14-22-28)34(24-25-15-7-3-8-16-25)31(35)23-29(26-17-9-4-10-18-26)27-19-11-5-12-20-27/h3-5,7-12,15-20,28-30H,2,6,13-14,21-24H2,1H3,(H,33,36)/t30-/m0/s1
InChIKeyOOZQEFVNEXAQSN-PMERELPUSA-N
MW482.67 g/mol
LogP6.46
Rot. Bonds10

About (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide

(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide (PubChem CID 100527162) has the molecular formula C32H38N2O2 and a molecular weight of 482.67 g/mol. Its IUPAC name is (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
PubChem CID100527162
Molecular FormulaC32H38N2O2
Molecular Weight482.67 g/mol
Exact Mass482.29
IUPAC Name(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide
SMILESCC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H38N2O2/c1-2-30(32(36)33-28-21-13-6-14-22-28)34(24-25-15-7-3-8-16-25)31(35)23-29(26-17-9-4-10-18-26)27-19-11-5-12-20-27/h3-5,7-12,15-20,28-30H,2,6,13-14,21-24H2,1H3,(H,33,36)/t30-/m0/s1
InChIKeyOOZQEFVNEXAQSN-PMERELPUSA-N
XLogP6.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 100547623
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
(2S)-2-[benzyl-(2-phenylsulfanylacetyl)amino]-N-cyclohexylbutanamide
CID 100522229
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 100528650
2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-cyclohexylbutanamide
CID 132986143
(2S)-N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 100562670
(2R)-2-[benzyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-N-cyclohexylbutanamide
CID 100522257
(2S)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100522106
2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 132610374
2-[benzyl-[2-(N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 132617494
(2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100610495
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide?
The IUPAC name of (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide (CID 100527162) is (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide.
What is the SMILES notation for (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide?
The canonical SMILES for (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide is CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide?
The InChIKey is OOZQEFVNEXAQSN-PMERELPUSA-N. The full InChI is InChI=1S/C32H38N2O2/c1-2-30(32(36)33-28-21-13-6-14-22-28)34(24-25-15-7-3-8-16-25)31(35)23-29(26-17-9-4-10-18-26)27-19-11-5-12-20-27/h3-5,7-12,15-20,28-30H,2,6,13-14,21-24H2,1H3,(H,33,36)/t30-/m0/s1.
What are the key properties of (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide?
(2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide has a molecular weight of 482.67 g/mol, XLogP of 6.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(3,3-diphenylpropanoyl)amino]-N-cyclohexylbutanamide is sourced from PubChem (CID 100527162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).