N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride

C19H31ClN2O — CID 119607229

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14(2)19(3,13-20)21-18(22)17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h4-8,14,16-17H,9-13,20H2,1-3H3,(H,21,22);1H
InChIKeyGRVIQCMPMPCMCS-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.87
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119607229) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119607229
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14(2)19(3,13-20)21-18(22)17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h4-8,14,16-17H,9-13,20H2,1-3H3,(H,21,22);1H
InChIKeyGRVIQCMPMPCMCS-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127299
N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119996102
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
CID 119221631
2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(cyclopentanecarbonylamino)cyclohexane-1-carboxamide
CID 119608044
N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119615242
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide;hydrochloride
CID 119607916
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-ylcyclopropane-1-carboxamide;hydrochloride
CID 119607624
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
N-(1-amino-2,3-dimethylbutan-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 119608309
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride (CID 119607229) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)C1CCC(c2ccccc2)CC1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GRVIQCMPMPCMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-14(2)19(3,13-20)21-18(22)17-11-9-16(10-12-17)15-7-5-4-6-8-15;/h4-8,14,16-17H,9-13,20H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-phenylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119607229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).