1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea

C17H24N2O — CID 108903627

IUPAC1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)NC1CCCCC1C
InChIInChI=1S/C17H24N2O/c1-13-7-3-5-9-15(13)11-12-18-17(20)19-16-10-6-4-8-14(16)2/h3,5,7,9,11-12,14,16H,4,6,8,10H2,1-2H3,(H2,18,19,20)/b12-11+
InChIKeyIJITUKZGHHKCSU-VAWYXSNFSA-N
MW272.39 g/mol
LogP3.84
Rot. Bonds3

About 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea

1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea (PubChem CID 108903627) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
PubChem CID108903627
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
SMILESCc1ccccc1/C=C/NC(=O)NC1CCCCC1C
InChIInChI=1S/C17H24N2O/c1-13-7-3-5-9-15(13)11-12-18-17(20)19-16-10-6-4-8-14(16)2/h3,5,7,9,11-12,14,16H,4,6,8,10H2,1-2H3,(H2,18,19,20)/b12-11+
InChIKeyIJITUKZGHHKCSU-VAWYXSNFSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]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-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea
CID 108906234
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 47032242
1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903488
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081
2-methyl-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 47005564
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea (CID 108903627) is 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea is Cc1ccccc1/C=C/NC(=O)NC1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
The InChIKey is IJITUKZGHHKCSU-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-7-3-5-9-15(13)11-12-18-17(20)19-16-10-6-4-8-14(16)2/h3,5,7,9,11-12,14,16H,4,6,8,10H2,1-2H3,(H2,18,19,20)/b12-11+.
What are the key properties of 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea?
1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea has a molecular weight of 272.39 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108903627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).