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

C17H27ClN2O — CID 119676490

IUPAC3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCC1CCCCC1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-8-6-7-11-15(12)19-17(20)13(2)16(18)14-9-4-3-5-10-14;/h3-5,9-10,12-13,15-16H,6-8,11,18H2,1-2H3,(H,19,20);1H
InChIKeyXPKAQCGMKDDOJO-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.44
Rot. Bonds4

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

3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119676490) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
PubChem CID119676490
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
SMILESCC1CCCCC1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-8-6-7-11-15(12)19-17(20)13(2)16(18)14-9-4-3-5-10-14;/h3-5,9-10,12-13,15-16H,6-8,11,18H2,1-2H3,(H,19,20);1H
InChIKeyXPKAQCGMKDDOJO-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119783067
N-[(1S,2R)-2-methylcyclohexyl]-2,2-diphenylacetamide
CID 7909419
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
2,3-dimethyl-4-[(2-methylcyclohexyl)amino]-4-oxobutanoic acid
CID 103496162
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102
3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
3-amino-2-methyl-N-(4-methylsulfonylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119802914
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2,2-diphenylacetate
CID 7749921
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride (CID 119676490) is 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride is CC1CCCCC1NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is XPKAQCGMKDDOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-8-6-7-11-15(12)19-17(20)13(2)16(18)14-9-4-3-5-10-14;/h3-5,9-10,12-13,15-16H,6-8,11,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119676490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).