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

C23H22N2O2 — CID 108905741

IUPAC1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-27-21-14-8-9-18(17-21)15-16-24-23(26)25-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,22H,1H3,(H2,24,25,26)/b16-15+
InChIKeyWZMVOAIFLYOQQY-FOCLMDBBSA-N
MW358.44 g/mol
LogP4.75
Rot. Bonds6

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

1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (PubChem CID 108905741) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
PubChem CID108905741
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H22N2O2/c1-27-21-14-8-9-18(17-21)15-16-24-23(26)25-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,22H,1H3,(H2,24,25,26)/b16-15+
InChIKeyWZMVOAIFLYOQQY-FOCLMDBBSA-N
XLogP4.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
CID 108906032
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 134029277
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108906013
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108905985

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (CID 108905741) is 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is COc1cccc(/C=C/NC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The InChIKey is WZMVOAIFLYOQQY-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-27-21-14-8-9-18(17-21)15-16-24-23(26)25-22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-17,22H,1H3,(H2,24,25,26)/b16-15+.
What are the key properties of 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea has a molecular weight of 358.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108905741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).