(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide

C16H24N2O — CID 14837100

IUPAC(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-12-7-9-14(10-8-12)18-16(19)15(17)11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11,17H2,1H3,(H,18,19)/t12?,14?,15-/m0/s1
InChIKeyCMGNQCNWFXPKLB-ZALBZXLWSA-N
MW260.38 g/mol
LogP2.25
Rot. Bonds4

About (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide

(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide (PubChem CID 14837100) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
PubChem CID14837100
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c1-12-7-9-14(10-8-12)18-16(19)15(17)11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11,17H2,1H3,(H,18,19)/t12?,14?,15-/m0/s1
InChIKeyCMGNQCNWFXPKLB-ZALBZXLWSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide 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)-4-phenylbutanamide
CID 104983814
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
2-amino-N-(4-ethylcyclohexyl)-3-phenylpropanamide
CID 61470376
(2R)-2-amino-N-(3,4-dimethylcyclohexyl)-3-phenylpropanamide
CID 64741348
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
ethyl 4-[(2-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119297434
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
(2R)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 55030074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide (CID 14837100) is (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide is CC1CCC(NC(=O)[C@@H](N)Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The InChIKey is CMGNQCNWFXPKLB-ZALBZXLWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-7-9-14(10-8-12)18-16(19)15(17)11-13-5-3-2-4-6-13/h2-6,12,14-15H,7-11,17H2,1H3,(H,18,19)/t12?,14?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide?
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.25, 4 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)-3-phenylpropanamide is sourced from PubChem (CID 14837100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).