1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea

C16H22N2O — CID 108903114

IUPAC1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea
SMILESCN(C(=O)N/C=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22N2O/c1-18(15-10-6-3-7-11-15)16(19)17-13-12-14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H,17,19)/b13-12+
InChIKeyVWLFYAZOCYLUPT-OUKQBFOZSA-N
MW258.37 g/mol
LogP3.63
Rot. Bonds3

About 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea

1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903114) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea
PubChem CID108903114
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea
SMILESCN(C(=O)N/C=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22N2O/c1-18(15-10-6-3-7-11-15)16(19)17-13-12-14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H,17,19)/b13-12+
InChIKeyVWLFYAZOCYLUPT-OUKQBFOZSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(E)-2-(3-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108906460
3-[(E)-2-(2-chlorophenyl)ethenyl]-1-cyclohexyl-1-methylurea
CID 108904598
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
1-(4-hydroxyphenyl)-1-methyl-3-[(E)-2-phenylethenyl]urea
CID 108903288
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
N-(2-phenylethenyl)acetamide
CID 54032077
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
CID 108903240
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2302400

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea (CID 108903114) is 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea is CN(C(=O)N/C=C/c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea?
The InChIKey is VWLFYAZOCYLUPT-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18(15-10-6-3-7-11-15)16(19)17-13-12-14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11H2,1H3,(H,17,19)/b13-12+.
What are the key properties of 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea?
1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea has a molecular weight of 258.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).