4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide

C17H26N2O2 — CID 79511106

IUPAC4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C17H26N2O2/c1-19(12-15-5-3-4-6-16(15)21-2)17(20)14-9-7-13(11-18)8-10-14/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyUJPIRWRUCNZLOE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.42
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide

4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 79511106) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID79511106
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCC(CN)CC1
InChIInChI=1S/C17H26N2O2/c1-19(12-15-5-3-4-6-16(15)21-2)17(20)14-9-7-13(11-18)8-10-14/h3-6,13-14H,7-12,18H2,1-2H3
InChIKeyUJPIRWRUCNZLOE-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3S,4S)-3-amino-4-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 155940113
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
N-[(2-methoxyphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 106739545
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
4-(aminomethyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79512212
2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987
(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944496
4-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79510878
N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778901
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 132762136

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 79511106) is 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide is COc1ccccc1CN(C)C(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is UJPIRWRUCNZLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(12-15-5-3-4-6-16(15)21-2)17(20)14-9-7-13(11-18)8-10-14/h3-6,13-14H,7-12,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79511106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).