1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide

C17H26N2O2 — CID 81368673

IUPAC1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2(N)CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-12-5-4-10-17(18,11-12)16(20)19-13(2)14-6-8-15(21-3)9-7-14/h6-9,12-13H,4-5,10-11,18H2,1-3H3,(H,19,20)/t12?,13-,17?/m1/s1
InChIKeyHCTOXVJEVVDDNJ-UIORMTCPSA-N
MW290.41 g/mol
LogP2.78
Rot. Bonds4

About 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide

1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide (PubChem CID 81368673) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
PubChem CID81368673
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2(N)CCCC(C)C2)cc1
InChIInChI=1S/C17H26N2O2/c1-12-5-4-10-17(18,11-12)16(20)19-13(2)14-6-8-15(21-3)9-7-14/h6-9,12-13H,4-5,10-11,18H2,1-3H3,(H,19,20)/t12?,13-,17?/m1/s1
InChIKeyHCTOXVJEVVDDNJ-UIORMTCPSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 82767463
1-(aminomethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 115448741
1-amino-N-[(1R)-1-(furan-2-yl)ethyl]-3-methylcyclohexane-1-carboxamide
CID 81400568
1-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 66197186
1-amino-3-methyl-N-(2-methyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 64551081
1-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 61253218
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
1-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119716690
2-(1-aminocyclopentyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81363183
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide (CID 81368673) is 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide is COc1ccc([C@@H](C)NC(=O)C2(N)CCCC(C)C2)cc1.
What is the InChIKey of 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide?
The InChIKey is HCTOXVJEVVDDNJ-UIORMTCPSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-5-4-10-17(18,11-12)16(20)19-13(2)14-6-8-15(21-3)9-7-14/h6-9,12-13H,4-5,10-11,18H2,1-3H3,(H,19,20)/t12?,13-,17?/m1/s1.
What are the key properties of 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide?
1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 81368673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).