2-(3-methoxyanilino)cyclohexene-1-carboxamide

C14H18N2O2 — CID 71388644

IUPAC2-(3-methoxyanilino)cyclohexene-1-carboxamide
SMILESCOc1cccc(NC2=C(C(N)=O)CCCC2)c1
InChIInChI=1S/C14H18N2O2/c1-18-11-6-4-5-10(9-11)16-13-8-3-2-7-12(13)14(15)17/h4-6,9,16H,2-3,7-8H2,1H3,(H2,15,17)
InChIKeyIBZHDARLUAAMAD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.42
Rot. Bonds4

About 2-(3-methoxyanilino)cyclohexene-1-carboxamide

2-(3-methoxyanilino)cyclohexene-1-carboxamide (PubChem CID 71388644) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(3-methoxyanilino)cyclohexene-1-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)cyclohexene-1-carboxamide
PubChem CID71388644
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(3-methoxyanilino)cyclohexene-1-carboxamide
SMILESCOc1cccc(NC2=C(C(N)=O)CCCC2)c1
InChIInChI=1S/C14H18N2O2/c1-18-11-6-4-5-10(9-11)16-13-8-3-2-7-12(13)14(15)17/h4-6,9,16H,2-3,7-8H2,1H3,(H2,15,17)
InChIKeyIBZHDARLUAAMAD-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61307103
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2-hydroxy-N-(3-methoxyphenyl)propanamide
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N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 8714146
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
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2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
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CID 6591303

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)cyclohexene-1-carboxamide?
The IUPAC name of 2-(3-methoxyanilino)cyclohexene-1-carboxamide (CID 71388644) is 2-(3-methoxyanilino)cyclohexene-1-carboxamide.
What is the SMILES notation for 2-(3-methoxyanilino)cyclohexene-1-carboxamide?
The canonical SMILES for 2-(3-methoxyanilino)cyclohexene-1-carboxamide is COc1cccc(NC2=C(C(N)=O)CCCC2)c1.
What is the InChIKey of 2-(3-methoxyanilino)cyclohexene-1-carboxamide?
The InChIKey is IBZHDARLUAAMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-11-6-4-5-10(9-11)16-13-8-3-2-7-12(13)14(15)17/h4-6,9,16H,2-3,7-8H2,1H3,(H2,15,17).
What are the key properties of 2-(3-methoxyanilino)cyclohexene-1-carboxamide?
2-(3-methoxyanilino)cyclohexene-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)cyclohexene-1-carboxamide is sourced from PubChem (CID 71388644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).