1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119263106

IUPAC1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(N)CCCCC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-12-7-6-11(10-13(12)20-2)17-14(18)15(16)8-4-3-5-9-15;/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18);1H
InChIKeyHPNMOBDGPOXAFX-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.73
Rot. Bonds4

About 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119263106) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119263106
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)C2(N)CCCCC2)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-12-7-6-11(10-13(12)20-2)17-14(18)15(16)8-4-3-5-9-15;/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18);1H
InChIKeyHPNMOBDGPOXAFX-UHFFFAOYSA-N
XLogP2.73
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
4-[(1-aminocyclohexanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119318653
1-amino-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717596
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
CID 119331491
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285029
1-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119264839
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866
1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034788

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119263106) is 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is COc1ccc(NC(=O)C2(N)CCCCC2)cc1OC.Cl.
What is the InChIKey of 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is HPNMOBDGPOXAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-12-7-6-11(10-13(12)20-2)17-14(18)15(16)8-4-3-5-9-15;/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119263106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).