1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide

C17H26N2O2 — CID 115437310

IUPAC1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCOc1c(C)ccc(NC(=O)C2(CN)CCCCC2)c1C
InChIInChI=1S/C17H26N2O2/c1-12-7-8-14(13(2)15(12)21-3)19-16(20)17(11-18)9-5-4-6-10-17/h7-8H,4-6,9-11,18H2,1-3H3,(H,19,20)
InChIKeyIEGYDLKBERSZIA-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.16
Rot. Bonds4

About 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide (PubChem CID 115437310) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
PubChem CID115437310
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide
SMILESCOc1c(C)ccc(NC(=O)C2(CN)CCCCC2)c1C
InChIInChI=1S/C17H26N2O2/c1-12-7-8-14(13(2)15(12)21-3)19-16(20)17(11-18)9-5-4-6-10-17/h7-8H,4-6,9-11,18H2,1-3H3,(H,19,20)
InChIKeyIEGYDLKBERSZIA-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(4-methoxy-2-methylphenyl)cyclohexane-1-carboxamide
CID 62870974
1-(aminomethyl)-N-(2,3-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670553
N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130077
methyl 3-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-4-methylbenzoate;hydrochloride
CID 119678118
[1-(aminomethyl)cyclohexyl]-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434920
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(3-iodo-2-methylphenyl)cyclopentane-1-carboxamide
CID 114257264
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-2-methylbenzoate
CID 115447650
1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)cycloheptane-1-carboxamide
CID 115444052
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide (CID 115437310) is 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide is COc1c(C)ccc(NC(=O)C2(CN)CCCCC2)c1C.
What is the InChIKey of 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide?
The InChIKey is IEGYDLKBERSZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-7-8-14(13(2)15(12)21-3)19-16(20)17(11-18)9-5-4-6-10-17/h7-8H,4-6,9-11,18H2,1-3H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115437310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).