4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide

C15H22N2O2 — CID 79527313

IUPAC4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H22N2O2/c1-19-14-5-3-2-4-13(14)17-15(18)12-8-6-11(10-16)7-9-12/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyFIWJUYJTCOFKDU-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.40
Rot. Bonds4

About 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 79527313) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID79527313
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C15H22N2O2/c1-19-14-5-3-2-4-13(14)17-15(18)12-8-6-11(10-16)7-9-12/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyFIWJUYJTCOFKDU-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79526534
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-N-(2,4-dimethylphenyl)-4-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150632
4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148921
1-(3-aminocyclopentanecarbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119732590
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
N-(2-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146305

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide (CID 79527313) is 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccccc1NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is FIWJUYJTCOFKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-5-3-2-4-13(14)17-15(18)12-8-6-11(10-16)7-9-12/h2-5,11-12H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79527313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).