(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride

C16H25ClN2O — CID 119262630

IUPAC(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H24N2O.ClH/c17-15(11-13-7-3-1-4-8-13)16(19)18-12-14-9-5-2-6-10-14;/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2,(H,18,19);1H/t15-;/m0./s1
InChIKeyJSNVQWXMPQKYCH-RSAXXLAASA-N
MW296.84 g/mol
LogP2.67
Rot. Bonds5

About (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119262630) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119262630
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H24N2O.ClH/c17-15(11-13-7-3-1-4-8-13)16(19)18-12-14-9-5-2-6-10-14;/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2,(H,18,19);1H/t15-;/m0./s1
InChIKeyJSNVQWXMPQKYCH-RSAXXLAASA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride 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-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
(2S)-2-amino-N-(cyclohexylmethyl)-3-(3,4-dihydroxyphenyl)propanamide
CID 61154345
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
(2S,3S)-3-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-N-(cyclohexylmethyl)-2-hydroxy-4-phenylbutanamide
CID 501725
cyclohexylmethyl 2-amino-3-phenylpropanoate
CID 62383262
5-[[[(2S)-2-amino-3-phenylpropanoyl]amino]methyl]oxolane-2-carboxamide;hydrochloride
CID 119345646
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305
(2S)-2-amino-N-[(4-cyclohexyloxyphenyl)methyl]-3-phenylpropanamide
CID 119312794
(2S)-2-amino-N-[(2-methylcyclopropyl)methyl]-3-phenylpropanamide
CID 103795240
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride (CID 119262630) is (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NCC1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is JSNVQWXMPQKYCH-RSAXXLAASA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c17-15(11-13-7-3-1-4-8-13)16(19)18-12-14-9-5-2-6-10-14;/h1,3-4,7-8,14-15H,2,5-6,9-12,17H2,(H,18,19);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.67, 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-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119262630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).