1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide

C16H24N2O3 — CID 119281357

IUPAC1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(N)CCCCC2)c1OC
InChIInChI=1S/C16H24N2O3/c1-20-13-8-6-7-12(14(13)21-2)11-18-15(19)16(17)9-4-3-5-10-16/h6-8H,3-5,9-11,17H2,1-2H3,(H,18,19)
InChIKeySGRDHPYXCRAZIP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.98
Rot. Bonds5

About 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide

1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 119281357) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID119281357
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(N)CCCCC2)c1OC
InChIInChI=1S/C16H24N2O3/c1-20-13-8-6-7-12(14(13)21-2)11-18-15(19)16(17)9-4-3-5-10-16/h6-8H,3-5,9-11,17H2,1-2H3,(H,18,19)
InChIKeySGRDHPYXCRAZIP-UHFFFAOYSA-N
XLogP1.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351
1-amino-N-[(2,3,4-trimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119285335
N-[(2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
CID 74250612
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119708895
1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
2-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]acetamide
CID 46590599
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
1-amino-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275621
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 119281357) is 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1cccc(CNC(=O)C2(N)CCCCC2)c1OC.
What is the InChIKey of 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is SGRDHPYXCRAZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-13-8-6-7-12(14(13)21-2)11-18-15(19)16(17)9-4-3-5-10-16/h6-8H,3-5,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide?
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119281357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).