(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide

C17H26N2O — CID 104983814

IUPAC(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
SMILESCC1CCC(NC(=O)[C@@H](N)CCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-13-7-10-15(11-8-13)19-17(20)16(18)12-9-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20)/t13?,15?,16-/m0/s1
InChIKeyPGEYBBNOKLKWRP-BCLQGDPASA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds5

About (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide

(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide (PubChem CID 104983814) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
PubChem CID104983814
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
SMILESCC1CCC(NC(=O)[C@@H](N)CCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-13-7-10-15(11-8-13)19-17(20)16(18)12-9-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20)/t13?,15?,16-/m0/s1
InChIKeyPGEYBBNOKLKWRP-BCLQGDPASA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide 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

(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
(4-methylcyclohexyl) (2S)-2-amino-4-phenylbutanoate
CID 104983525
2-amino-N-(2-methyloxolan-3-yl)-4-phenylbutanamide
CID 114929264
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
(2S)-2-amino-4-phenyl-N-(thian-3-yl)butanamide
CID 104984848
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 114928005
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
(2S)-2-amino-N-(2-hydroxycycloheptyl)-4-phenylbutanamide
CID 104984765
benzyl N-[(2S)-1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]carbamate
CID 18106493

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide (CID 104983814) is (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide is CC1CCC(NC(=O)[C@@H](N)CCc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide?
The InChIKey is PGEYBBNOKLKWRP-BCLQGDPASA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-10-15(11-8-13)19-17(20)16(18)12-9-14-5-3-2-4-6-14/h2-6,13,15-16H,7-12,18H2,1H3,(H,19,20)/t13?,15?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide?
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide is sourced from PubChem (CID 104983814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).