3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one

C15H19NO2 — CID 698514

IUPAC3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCOc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C15H19NO2/c1-15(2)9-12(8-13(17)10-15)16-11-4-6-14(18-3)7-5-11/h4-8,16H,9-10H2,1-3H3
InChIKeyNRCVKUDLIIDNJU-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.38
Rot. Bonds3

About 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one

3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 698514) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
PubChem CID698514
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
SMILESCOc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C15H19NO2/c1-15(2)9-12(8-13(17)10-15)16-11-4-6-14(18-3)7-5-11/h4-8,16H,9-10H2,1-3H3
InChIKeyNRCVKUDLIIDNJU-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-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

Related Compounds

N-(4-Methoxyphenyl)Acetamide
CID 5827
4'-Methoxyacetoacetanilide
CID 21576
N-(4-methoxyphenyl)acrylamide
CID 82197
2-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 880925
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
(4Z)-N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5718213
3-[(4-Ethoxyphenyl)amino]cyclohex-2-en-1-one
CID 4640755
3-(4-tert-Butylphenyl)-N-(4-methoxyphenyl)acrylamide
CID 680436
N-(Cinnamoyl)-4-methoxyaniline
CID 690965
Cambridge id 5220686
CID 788465
N-(4-methoxyphenyl)cyclopentanecarboxamide
CID 531886
N-(4-methoxyphenyl)-2-phenylacetamide
CID 531989

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one (CID 698514) is 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one is COc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is NRCVKUDLIIDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2)9-12(8-13(17)10-15)16-11-4-6-14(18-3)7-5-11/h4-8,16H,9-10H2,1-3H3.
What are the key properties of 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one?
3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 698514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).