6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide

C25H30N2O4 — CID 135402306

IUPAC6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide
SMILESCOc1ccc(CC/N=C2\CC(C)(C)CC(O)=C2C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C25H30N2O4/c1-25(2)15-19(26-13-12-17-10-11-21(30-3)22(14-17)31-4)23(20(28)16-25)24(29)27-18-8-6-5-7-9-18/h5-11,14,28H,12-13,15-16H2,1-4H3,(H,27,29)/b26-19+
InChIKeyUYGDLBUTAHTKNL-LGUFXXKBSA-N
MW422.53 g/mol
LogP4.96
Rot. Bonds7

About 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide

6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide (PubChem CID 135402306) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide
PubChem CID135402306
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide
SMILESCOc1ccc(CC/N=C2\CC(C)(C)CC(O)=C2C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C25H30N2O4/c1-25(2)15-19(26-13-12-17-10-11-21(30-3)22(14-17)31-4)23(20(28)16-25)24(29)27-18-8-6-5-7-9-18/h5-11,14,28H,12-13,15-16H2,1-4H3,(H,27,29)/b26-19+
InChIKeyUYGDLBUTAHTKNL-LGUFXXKBSA-N
XLogP4.96
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide 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

3-[2-(3,4-dimethoxyphenyl)ethylimino]-2-[hydroxy(phenyl)methylidene]-5,5-dimethylcyclohexan-1-one
CID 135439409
2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135455184
1-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-3-phenylurea
CID 129259360
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
1-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylurea
CID 48559749
N-[4-[2-[2-(3,4-dimethoxyphenyl)ethylimino]-3,6-dihydro-1,3,4-thiadiazin-5-yl]phenyl]benzamide
CID 135840296
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methylidene]thiourea
CID 135439376
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
2-[2-(3-methoxy-4-methylphenyl)ethyl]-1-phenylguanidine
CID 111459304
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
CID 42704104
6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide (CID 135402306) is 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide is COc1ccc(CC/N=C2\CC(C)(C)CC(O)=C2C(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide?
The InChIKey is UYGDLBUTAHTKNL-LGUFXXKBSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-25(2)15-19(26-13-12-17-10-11-21(30-3)22(14-17)31-4)23(20(28)16-25)24(29)27-18-8-6-5-7-9-18/h5-11,14,28H,12-13,15-16H2,1-4H3,(H,27,29)/b26-19+.
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide?
6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)ethylimino]-2-hydroxy-4,4-dimethyl-N-phenylcyclohexene-1-carboxamide is sourced from PubChem (CID 135402306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).