1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea

C17H24N2O3 — CID 108912082

IUPAC1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)N/C=C/C2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-21-14-8-9-16(22-2)15(12-14)19-17(20)18-11-10-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,18,19,20)/b11-10+
InChIKeyZINORAGOKONMSZ-ZHACJKMWSA-N
MW304.39 g/mol
LogP3.92
Rot. Bonds5

About 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea

1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 108912082) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
PubChem CID108912082
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)N/C=C/C2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-21-14-8-9-16(22-2)15(12-14)19-17(20)18-11-10-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,18,19,20)/b11-10+
InChIKeyZINORAGOKONMSZ-ZHACJKMWSA-N
XLogP3.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea 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

1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
1-[(E)-2-cyclopropylethenyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108915958
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108911715
1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea
CID 95975281
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108911678
1-(2,4-dimethoxyphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911046
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2391445
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
1-N-cycloheptyl-1-N'-(2,5-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108979497

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea (CID 108912082) is 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)N/C=C/C2CCCCC2)c1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is ZINORAGOKONMSZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-14-8-9-16(22-2)15(12-14)19-17(20)18-11-10-13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H2,18,19,20)/b11-10+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea?
1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 304.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108912082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).