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

C17H18N2O2 — CID 108903141

IUPAC1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
SMILESCOc1ccc(CNC(=O)N/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-16-9-7-15(8-10-16)13-19-17(20)18-12-11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,18,19,20)/b12-11+
InChIKeyWPMSSTFKQFCGSZ-VAWYXSNFSA-N
MW282.34 g/mol
LogP3.17
Rot. Bonds5

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

1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903141) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
PubChem CID108903141
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
SMILESCOc1ccc(CNC(=O)N/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H18N2O2/c1-21-16-9-7-15(8-10-16)13-19-17(20)18-12-11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,18,19,20)/b12-11+
InChIKeyWPMSSTFKQFCGSZ-VAWYXSNFSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861
(4-methoxyphenyl)methyl N-(2-phenylethenyl)carbamate
CID 4271861
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(pyridin-2-ylmethyl)urea
CID 108907670
1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108911310
4-methoxy-N-[(E)-2-phenylethenyl]benzamide
CID 12560217
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108908242
1-(2-hydroxy-2-phenylpropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 121112092
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
CID 108906032

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea (CID 108903141) is 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea is COc1ccc(CNC(=O)N/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea?
The InChIKey is WPMSSTFKQFCGSZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-21-16-9-7-15(8-10-16)13-19-17(20)18-12-11-14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H2,18,19,20)/b12-11+.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea has a molecular weight of 282.34 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).