N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride

C19H31ClN2O — CID 119591290

IUPACN-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride
SMILESCC(C)(CC(=O)NC(CN)C1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-19(2,16-11-7-4-8-12-16)13-18(22)21-17(14-20)15-9-5-3-6-10-15;/h4,7-8,11-12,15,17H,3,5-6,9-10,13-14,20H2,1-2H3,(H,21,22);1H
InChIKeyXVRRPDWFUZZZJD-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.80
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride (PubChem CID 119591290) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride
PubChem CID119591290
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride
SMILESCC(C)(CC(=O)NC(CN)C1CCCCC1)c1ccccc1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-19(2,16-11-7-4-8-12-16)13-18(22)21-17(14-20)15-9-5-3-6-10-15;/h4,7-8,11-12,15,17H,3,5-6,9-10,13-14,20H2,1-2H3,(H,21,22);1H
InChIKeyXVRRPDWFUZZZJD-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-amino-1-cyclohexylethyl)-2-naphthalen-1-ylacetamide
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N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
N-(2-amino-1-cyclohexylethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
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N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride (CID 119591290) is N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride is CC(C)(CC(=O)NC(CN)C1CCCCC1)c1ccccc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride?
The InChIKey is XVRRPDWFUZZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-19(2,16-11-7-4-8-12-16)13-18(22)21-17(14-20)15-9-5-3-6-10-15;/h4,7-8,11-12,15,17H,3,5-6,9-10,13-14,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119591290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).