1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea

C16H22N2O — CID 108911993

IUPAC1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N/C=C/C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,17,18,19)/b12-11+
InChIKeyDWPSXXJHQAPAJW-VAWYXSNFSA-N
MW258.37 g/mol
LogP4.21
Rot. Bonds3

About 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea

1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea (PubChem CID 108911993) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
PubChem CID108911993
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N/C=C/C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,17,18,19)/b12-11+
InChIKeyDWPSXXJHQAPAJW-VAWYXSNFSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
CID 108912023
4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzamide
CID 108911862
4-[[(E)-2-cyclopentylethenyl]carbamoylamino]benzenesulfonic acid
CID 108911625
[4-[[(E)-2-cyclohexylethenyl]carbamoylamino]phenyl] thiocyanate
CID 108912202
1-[(E)-2-cyclohexylethenyl]-3-(3,5-dichlorophenyl)urea
CID 108912245
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-cyclohexylethenyl]urea
CID 108912236
ethyl 4-[[(E)-2-cyclopropylethenyl]carbamoylamino]benzoate
CID 108915686
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
1-[(E)-2-cyclopropylethenyl]-3-(4-nitrophenyl)urea
CID 108915764
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
CID 108912229
1-[(E)-2-cyclopentylethenyl]-3-(2-ethylphenyl)urea
CID 108911860
1-[(E)-2-cyclopropylethenyl]-3-(3,4-dichlorophenyl)urea
CID 108915680

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea (CID 108911993) is 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N/C=C/C2CCCCC2)cc1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea?
The InChIKey is DWPSXXJHQAPAJW-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-7-9-15(10-8-13)18-16(19)17-12-11-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3,(H2,17,18,19)/b12-11+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea?
1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea has a molecular weight of 258.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 108911993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).