4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide

C17H25NO3 — CID 112529647

IUPAC4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCC(OC)CC2)c1
InChIInChI=1S/C17H25NO3/c1-20-15-8-6-14(7-9-15)17(19)18-11-10-13-4-3-5-16(12-13)21-2/h3-5,12,14-15H,6-11H2,1-2H3,(H,18,19)
InChIKeyXWEWPAMNCHDMKT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.56
Rot. Bonds6

About 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide

4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 112529647) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID112529647
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCC(OC)CC2)c1
InChIInChI=1S/C17H25NO3/c1-20-15-8-6-14(7-9-15)17(19)18-11-10-13-4-3-5-16(12-13)21-2/h3-5,12,14-15H,6-11H2,1-2H3,(H,18,19)
InChIKeyXWEWPAMNCHDMKT-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 135114422
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
N-[2-[[N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111928198
2,2-dichloro-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 78879212
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 107846631
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide (CID 112529647) is 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide is COc1cccc(CCNC(=O)C2CCC(OC)CC2)c1.
What is the InChIKey of 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is XWEWPAMNCHDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-8-6-14(7-9-15)17(19)18-11-10-13-4-3-5-16(12-13)21-2/h3-5,12,14-15H,6-11H2,1-2H3,(H,18,19).
What are the key properties of 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide?
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 112529647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).