3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride

C15H23ClN2O — CID 119673929

IUPAC3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-10-6-11(2)8-14(7-10)17-15(18)12-4-3-5-13(16)9-12;/h6-8,12-13H,3-5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyFJOVGAFJMVOZFI-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.18
Rot. Bonds2

About 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119673929) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119673929
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-10-6-11(2)8-14(7-10)17-15(18)12-4-3-5-13(16)9-12;/h6-8,12-13H,3-5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyFJOVGAFJMVOZFI-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,4,6-trimethylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119670922
3-amino-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 63041984
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119787234
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-(3,5-difluoro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 119725618
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119673929) is 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride is Cc1cc(C)cc(NC(=O)C2CCCC(N)C2)c1.Cl.
What is the InChIKey of 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is FJOVGAFJMVOZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-10-6-11(2)8-14(7-10)17-15(18)12-4-3-5-13(16)9-12;/h6-8,12-13H,3-5,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119673929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).