1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea

C16H22N2O — CID 108913521

IUPAC1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC=C2CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O/c1-11-8-12(2)15(13(3)9-11)18-16(19)17-10-14-6-4-5-7-14/h8-10H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyJEMMFHRHMWMCSF-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.19
Rot. Bonds2

About 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea

1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108913521) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID108913521
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC=C2CCCC2)c(C)c1
InChIInChI=1S/C16H22N2O/c1-11-8-12(2)15(13(3)9-11)18-16(19)17-10-14-6-4-5-7-14/h8-10H,4-7H2,1-3H3,(H2,17,18,19)
InChIKeyJEMMFHRHMWMCSF-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(cyclopentylidenemethyl)-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-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911711
1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea
CID 108915759
1-(cyclopentylidenemethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108913603
1-[(E)-3,3-dimethylbut-1-enyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911338
1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
CID 108912618
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 47132646
(E)-N,N'-bis(2,4,6-trimethylphenyl)but-2-enediamide
CID 1091194
1-(2-methyl-6-propan-2-ylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913071
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(2,6-dimethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512317
1-(2-chloro-4,6-dimethylphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914830

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea (CID 108913521) is 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NC=C2CCCC2)c(C)c1.
What is the InChIKey of 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is JEMMFHRHMWMCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-8-12(2)15(13(3)9-11)18-16(19)17-10-14-6-4-5-7-14/h8-10H,4-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea?
1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 258.36 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylidenemethyl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108913521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).