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

C18H20N2O3 — CID 108907604

IUPAC1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-22-16-7-3-14(4-8-16)11-12-19-18(21)20-13-15-5-9-17(23-2)10-6-15/h3-12H,13H2,1-2H3,(H2,19,20,21)/b12-11+
InChIKeyMESNIPNTULOGEU-VAWYXSNFSA-N
MW312.37 g/mol
LogP3.17
Rot. Bonds6

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

1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108907604) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108907604
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(/C=C/NC(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-22-16-7-3-14(4-8-16)11-12-19-18(21)20-13-15-5-9-17(23-2)10-6-15/h3-12H,13H2,1-2H3,(H2,19,20,21)/b12-11+
InChIKeyMESNIPNTULOGEU-VAWYXSNFSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108907884
1-[(E)-3,3-dimethylbut-1-enyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108911310
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 108908242
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
1,1-diethyl-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907733
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea (CID 108907604) is 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(/C=C/NC(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is MESNIPNTULOGEU-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-7-3-14(4-8-16)11-12-19-18(21)20-13-15-5-9-17(23-2)10-6-15/h3-12H,13H2,1-2H3,(H2,19,20,21)/b12-11+.
What are the key properties of 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea?
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108907604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).