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

C16H22N2O2 — CID 108912023

IUPAC1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N/C=C/C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-15-9-7-14(8-10-15)18-16(19)17-12-11-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H2,17,18,19)/b12-11+
InChIKeyLVODGWQXANMNPW-VAWYXSNFSA-N
MW274.36 g/mol
LogP3.91
Rot. Bonds4

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

1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea (PubChem CID 108912023) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
PubChem CID108912023
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)N/C=C/C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-20-15-9-7-14(8-10-15)18-16(19)17-12-11-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H2,17,18,19)/b12-11+
InChIKeyLVODGWQXANMNPW-VAWYXSNFSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-cyclohexylethenyl]-3-(4-methylphenyl)urea
CID 108911993
1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
CID 108912082
1-(4-aminophenyl)-3-[(E)-2-cyclopentylethenyl]urea
CID 108911622
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108911678
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
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748
1-[(E)-2-cyclopropylethenyl]-3-naphthalen-2-ylurea
CID 108915883

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea (CID 108912023) is 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)N/C=C/C2CCCCC2)cc1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is LVODGWQXANMNPW-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-9-7-14(8-10-15)18-16(19)17-12-11-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H2,17,18,19)/b12-11+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea?
1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 274.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexylethenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 108912023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).