1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea

C17H24N2O — CID 108911711

IUPAC1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N/C=C/C2CCCC2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-12-10-13(2)16(14(3)11-12)19-17(20)18-9-8-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H2,18,19,20)/b9-8+
InChIKeyMCOHLUPWPSNPAV-CMDGGOBGSA-N
MW272.39 g/mol
LogP4.44
Rot. Bonds3

About 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea

1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108911711) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID108911711
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)N/C=C/C2CCCC2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-12-10-13(2)16(14(3)11-12)19-17(20)18-9-8-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H2,18,19,20)/b9-8+
InChIKeyMCOHLUPWPSNPAV-CMDGGOBGSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)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-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea
CID 108915759
1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
1-[(E)-2-cyclohexylethenyl]-3-(4-methyl-2-pyridinyl)urea
CID 108912290
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
1-[(E)-3,3-dimethylbut-1-enyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911338
1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108913521
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912284
1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
CID 108911860
1-[(E)-2-cyclohexylethenyl]-3-[(3-methylphenyl)methyl]urea
CID 108912320
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea
CID 108915966

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea (CID 108911711) is 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)N/C=C/C2CCCC2)c(C)c1.
What is the InChIKey of 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is MCOHLUPWPSNPAV-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-10-13(2)16(14(3)11-12)19-17(20)18-9-8-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H2,18,19,20)/b9-8+.
What are the key properties of 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea?
1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 272.39 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108911711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).