1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride

C16H25ClN2O — CID 119262760

IUPAC1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)13-6-8-14(9-7-13)18-15(19)16(17)10-4-3-5-11-16;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,19);1H
InChIKeyDPJJVVOAZYQYFF-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.83
Rot. Bonds3

About 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119262760) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119262760
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC(C)c1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12(2)13-6-8-14(9-7-13)18-15(19)16(17)10-4-3-5-11-16;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,19);1H
InChIKeyDPJJVVOAZYQYFF-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119298195
4-amino-N-(4-propan-2-ylphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 66921149
2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
CID 64684135
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704507
1-amino-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
CID 119827128
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
4-amino-1-(2-methylpropylsulfonyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 66921245
4-amino-1-N-(4-tert-butylphenyl)-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide;hydrochloride
CID 66926127
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 119704508

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119262760) is 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride is CC(C)c1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DPJJVVOAZYQYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12(2)13-6-8-14(9-7-13)18-15(19)16(17)10-4-3-5-11-16;/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119262760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).