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

C18H26N2O2 — CID 108912327

IUPAC1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-22-17-10-6-5-9-16(17)12-14-20-18(21)19-13-11-15-7-3-2-4-8-15/h5-6,9-11,13,15H,2-4,7-8,12,14H2,1H3,(H2,19,20,21)/b13-11+
InChIKeyOWPGTEKVUGCBCD-ACCUITESSA-N
MW302.42 g/mol
LogP3.63
Rot. Bonds6

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

1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea (PubChem CID 108912327) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
PubChem CID108912327
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
SMILESCOc1ccccc1CCNC(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C18H26N2O2/c1-22-17-10-6-5-9-16(17)12-14-20-18(21)19-13-11-15-7-3-2-4-8-15/h5-6,9-11,13,15H,2-4,7-8,12,14H2,1H3,(H2,19,20,21)/b13-11+
InChIKeyOWPGTEKVUGCBCD-ACCUITESSA-N
XLogP3.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108916003
1-[(E)-2-cyclopropylethenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108915719
1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea
CID 108911873
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
1-[2-(2-methoxyphenyl)ethyl]-3-[(E)-2-methylbut-1-enyl]urea
CID 108914510
1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8726213
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea (CID 108912327) is 1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea is COc1ccccc1CCNC(=O)N/C=C/C1CCCCC1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
The InChIKey is OWPGTEKVUGCBCD-ACCUITESSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-17-10-6-5-9-16(17)12-14-20-18(21)19-13-11-15-7-3-2-4-8-15/h5-6,9-11,13,15H,2-4,7-8,12,14H2,1H3,(H2,19,20,21)/b13-11+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea?
1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea has a molecular weight of 302.42 g/mol, XLogP of 3.63, 6 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-[2-(2-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108912327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).