(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide

C31H38N2O2 — CID 100548603

IUPAC(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C31H38N2O2/c1-3-29(31(35)32-27-13-5-4-6-14-27)33(22-24-18-16-23(2)17-19-24)30(34)21-20-26-12-9-11-25-10-7-8-15-28(25)26/h7-12,15-19,27,29H,3-6,13-14,20-22H2,1-2H3,(H,32,35)/t29-/m1/s1
InChIKeyNTLCATJFAFPEIU-GDLZYMKVSA-N
MW470.66 g/mol
LogP6.34
Rot. Bonds9

About (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide

(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide (PubChem CID 100548603) has the molecular formula C31H38N2O2 and a molecular weight of 470.66 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
PubChem CID100548603
Molecular FormulaC31H38N2O2
Molecular Weight470.66 g/mol
Exact Mass470.29
IUPAC Name(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
SMILESCC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C31H38N2O2/c1-3-29(31(35)32-27-13-5-4-6-14-27)33(22-24-18-16-23(2)17-19-24)30(34)21-20-26-12-9-11-25-10-7-8-15-28(25)26/h7-12,15-19,27,29H,3-6,13-14,20-22H2,1-2H3,(H,32,35)/t29-/m1/s1
InChIKeyNTLCATJFAFPEIU-GDLZYMKVSA-N
XLogP6.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide 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

(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100546698
(2S)-N-cyclohexyl-2-[(2-methylphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 100533134
N-cyclohexyl-2-[3-naphthalen-1-ylpropanoyl(2-phenylethyl)amino]butanamide
CID 132615507
N-cyclopentyl-2-[(4-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132613892
N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide
CID 132622824
N-cyclohexyl-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 132613628
2-[(4-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 132616113
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
(2S)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(4-methylphenyl)methyl]amino]butanamide
CID 100547623
(2R)-N-cyclohexyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 100547918
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100547367
N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 100590102

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide (CID 100548603) is (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide is CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide?
The InChIKey is NTLCATJFAFPEIU-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H38N2O2/c1-3-29(31(35)32-27-13-5-4-6-14-27)33(22-24-18-16-23(2)17-19-24)30(34)21-20-26-12-9-11-25-10-7-8-15-28(25)26/h7-12,15-19,27,29H,3-6,13-14,20-22H2,1-2H3,(H,32,35)/t29-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide?
(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide has a molecular weight of 470.66 g/mol, XLogP of 6.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]butanamide is sourced from PubChem (CID 100548603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).