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

C18H20N2O3 — CID 108904070

IUPAC1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCCOc1ccccc1NC(=O)N/C=C/c1ccccc1OC
InChIInChI=1S/C18H20N2O3/c1-3-23-17-11-7-5-9-15(17)20-18(21)19-13-12-14-8-4-6-10-16(14)22-2/h4-13H,3H2,1-2H3,(H2,19,20,21)/b13-12+
InChIKeyNOZBXPJHLACXIU-OUKQBFOZSA-N
MW312.37 g/mol
LogP3.89
Rot. Bonds6

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

1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (PubChem CID 108904070) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
PubChem CID108904070
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCCOc1ccccc1NC(=O)N/C=C/c1ccccc1OC
InChIInChI=1S/C18H20N2O3/c1-3-23-17-11-7-5-9-15(17)20-18(21)19-13-12-14-8-4-6-10-16(14)22-2/h4-13H,3H2,1-2H3,(H2,19,20,21)/b13-12+
InChIKeyNOZBXPJHLACXIU-OUKQBFOZSA-N
XLogP3.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-ethoxyphenyl)urea
CID 108908536
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
[2-(2-ethoxyanilino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541651
1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091
1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903849
1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903913
1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904116
1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814
1-[(E)-2-cyclopentylethenyl]-3-(2-ethoxyphenyl)urea
CID 108911873
2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108903974
N-[2,5-diethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 1428113

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (CID 108904070) is 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is CCOc1ccccc1NC(=O)N/C=C/c1ccccc1OC.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The InChIKey is NOZBXPJHLACXIU-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-17-11-7-5-9-15(17)20-18(21)19-13-12-14-8-4-6-10-16(14)22-2/h4-13H,3H2,1-2H3,(H2,19,20,21)/b13-12+.
What are the key properties of 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108904070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).