3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one

C20H21NO3 — CID 4048979

IUPAC3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one
SMILESCOc1ccc(NC2=CC(c3ccc(OC)cc3)CC(=O)C2)cc1
InChIInChI=1S/C20H21NO3/c1-23-19-7-3-14(4-8-19)15-11-17(13-18(22)12-15)21-16-5-9-20(24-2)10-6-16/h3-11,15,21H,12-13H2,1-2H3
InChIKeyRRZATTWBXYPTIV-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.15
Rot. Bonds5

About 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one

3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one (PubChem CID 4048979) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one
PubChem CID4048979
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one
SMILESCOc1ccc(NC2=CC(c3ccc(OC)cc3)CC(=O)C2)cc1
InChIInChI=1S/C20H21NO3/c1-23-19-7-3-14(4-8-19)15-11-17(13-18(22)12-15)21-16-5-9-20(24-2)10-6-16/h3-11,15,21H,12-13H2,1-2H3
InChIKeyRRZATTWBXYPTIV-UHFFFAOYSA-N
XLogP4.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one?
The IUPAC name of 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one (CID 4048979) is 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one.
What is the SMILES notation for 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one?
The canonical SMILES for 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one is COc1ccc(NC2=CC(c3ccc(OC)cc3)CC(=O)C2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one?
The InChIKey is RRZATTWBXYPTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-23-19-7-3-14(4-8-19)15-11-17(13-18(22)12-15)21-16-5-9-20(24-2)10-6-16/h3-11,15,21H,12-13H2,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one?
3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one has a molecular weight of 323.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-5-(4-methoxyphenyl)cyclohex-3-en-1-one is sourced from PubChem (CID 4048979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).