1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide

C17H26N2O2 — CID 66197186

IUPAC1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2(CN)CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(14-6-8-15(21-2)9-7-14)19-16(20)17(12-18)10-4-3-5-11-17/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20)
InChIKeyGAQNJAYTSSKHIA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.78
Rot. Bonds5

About 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 66197186) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID66197186
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)C2(CN)CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(14-6-8-15(21-2)9-7-14)19-16(20)17(12-18)10-4-3-5-11-17/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20)
InChIKeyGAQNJAYTSSKHIA-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
4-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120921735
1-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685506
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
1-(aminomethyl)-N-[(1R)-1-pyridin-4-ylethyl]cyclopentane-1-carboxamide
CID 94008169
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(aminomethyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119721956
1-(aminomethyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447690
1-(aminomethyl)-N-[1-(4-methylsulfanylphenyl)ethyl]cyclobutane-1-carboxamide
CID 115447604
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide (CID 66197186) is 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide is COc1ccc(C(C)NC(=O)C2(CN)CCCCC2)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is GAQNJAYTSSKHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(14-6-8-15(21-2)9-7-14)19-16(20)17(12-18)10-4-3-5-11-17/h6-9,13H,3-5,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 66197186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).