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

C16H25ClN2O — CID 119285428

IUPAC(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCC1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-6-5-9-14(10-12)18-16(19)15(17)11-13-7-3-2-4-8-13;/h2-4,7-8,12,14-15H,5-6,9-11,17H2,1H3,(H,18,19);1H/t12?,14?,15-;/m0./s1
InChIKeyXJAUUTAHZXGEJI-DUGYKYRDSA-N
MW296.84 g/mol
LogP2.67
Rot. Bonds4

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

(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119285428) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
PubChem CID119285428
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCC1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-6-5-9-14(10-12)18-16(19)15(17)11-13-7-3-2-4-8-13;/h2-4,7-8,12,14-15H,5-6,9-11,17H2,1H3,(H,18,19);1H/t12?,14?,15-;/m0./s1
InChIKeyXJAUUTAHZXGEJI-DUGYKYRDSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
(2R)-2-amino-N-(3-methylsulfanylcyclohexyl)-3-phenylpropanamide
CID 103797412
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(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
benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385
2-amino-N-(oxan-3-yl)-3-phenylpropanamide
CID 63361697

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride (CID 119285428) is (2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride is CC1CCCC(NC(=O)[C@@H](N)Cc2ccccc2)C1.Cl.
What is the InChIKey of (2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is XJAUUTAHZXGEJI-DUGYKYRDSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-6-5-9-14(10-12)18-16(19)15(17)11-13-7-3-2-4-8-13;/h2-4,7-8,12,14-15H,5-6,9-11,17H2,1H3,(H,18,19);1H/t12?,14?,15-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.67, 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-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119285428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).