N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide

C16H23NO2 — CID 47041879

IUPACN-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
SMILESCOc1cccc(CCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-19-15-9-5-6-13(12-15)10-11-17-16(18)14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,17,18)
InChIKeyOOWVNZDVLTXKEO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds5

About N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide

N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide (PubChem CID 47041879) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
PubChem CID47041879
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
SMILESCOc1cccc(CCNC(=O)C2CCCCC2)c1
InChIInChI=1S/C16H23NO2/c1-19-15-9-5-6-13(12-15)10-11-17-16(18)14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,17,18)
InChIKeyOOWVNZDVLTXKEO-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclohexanecarboxamide
CID 112983566
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94178642
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 107846631
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
2-cyclopentyl-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110355667
N-[2-[[N-ethyl-N'-[(3-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]cyclohexanecarboxamide
CID 111250675
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide (CID 47041879) is N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide is COc1cccc(CCNC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide?
The InChIKey is OOWVNZDVLTXKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-15-9-5-6-13(12-15)10-11-17-16(18)14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,17,18).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide?
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 47041879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).