1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea

C16H22N2O2 — CID 108907580

IUPAC1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,17,18,19)/b12-11+
InChIKeyNAIWWZNHBUHGMC-VAWYXSNFSA-N
MW274.36 g/mol
LogP3.30
Rot. Bonds4

About 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea

1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (PubChem CID 108907580) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
PubChem CID108907580
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,17,18,19)/b12-11+
InChIKeyNAIWWZNHBUHGMC-VAWYXSNFSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-cyclopropylurea
CID 108908546
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
[2-(cyclopentylamino)-2-oxoethyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4803375
N-cyclohexyl-3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 8713321
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686
1-(1-adamantyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907800
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
(2Z)-4-(cyclohexylamino)-2-[(4-methoxyphenyl)methylidene]-4-oxobutanoic acid
CID 6522836

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (CID 108907580) is 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is COc1ccc(/C=C/NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The InChIKey is NAIWWZNHBUHGMC-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-9-7-13(8-10-15)11-12-17-16(19)18-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,17,18,19)/b12-11+.
What are the key properties of 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea has a molecular weight of 274.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108907580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).