2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride

C17H27ClN2O — CID 120607906

IUPAC2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride
SMILESCC1CCCC(NC(=O)C(C)(N)c2ccccc2)C1C.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-8-7-11-15(13(12)2)19-16(20)17(3,18)14-9-5-4-6-10-14;/h4-6,9-10,12-13,15H,7-8,11,18H2,1-3H3,(H,19,20);1H
InChIKeyJHNOGXGYSBZYIU-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.22
Rot. Bonds3

About 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride

2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride (PubChem CID 120607906) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride
PubChem CID120607906
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride
SMILESCC1CCCC(NC(=O)C(C)(N)c2ccccc2)C1C.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-12-8-7-11-15(13(12)2)19-16(20)17(3,18)14-9-5-4-6-10-14;/h4-6,9-10,12-13,15H,7-8,11,18H2,1-3H3,(H,19,20);1H
InChIKeyJHNOGXGYSBZYIU-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(aminomethyl)cyclopentyl]-2-phenylpropanamide
CID 122080715
2-amino-N-cycloheptyl-2-phenylpropanamide;hydrochloride
CID 120586523
2-amino-N-(2-methyloxolan-3-yl)-2-phenylpropanamide
CID 82729111
cis-(1S,3R)-3-[(2-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 146109351
2-amino-2-cyclopropyl-N-(2,3-dimethylcyclohexyl)propanamide
CID 54924834
N-(2,3-dimethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429431
2-amino-N-(3,5-dimethylcyclohexyl)-2-phenylpropanamide
CID 64732725
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
2-amino-N-[3-(dimethylamino)cyclohexyl]-2-phenylpropanamide
CID 120597033
2-amino-N-[(2-hydroxycyclopentyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590935
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide
CID 120587017
2,3-dimethyl-N-(2-methyl-2-phenylpropyl)cyclohexan-1-amine
CID 64762295

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride (CID 120607906) is 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride is CC1CCCC(NC(=O)C(C)(N)c2ccccc2)C1C.Cl.
What is the InChIKey of 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is JHNOGXGYSBZYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-12-8-7-11-15(13(12)2)19-16(20)17(3,18)14-9-5-4-6-10-14;/h4-6,9-10,12-13,15H,7-8,11,18H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride?
2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylcyclohexyl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120607906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).