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

C20H24N2O4 — CID 108907679

IUPAC1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCCOc1ccc(NC(=O)N/C=C/c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C20H24N2O4/c1-4-25-18-11-8-16(14-19(18)26-5-2)22-20(23)21-13-12-15-6-9-17(24-3)10-7-15/h6-14H,4-5H2,1-3H3,(H2,21,22,23)/b13-12+
InChIKeyYTOHUUUNHVSJBL-OUKQBFOZSA-N
MW356.42 g/mol
LogP4.28
Rot. Bonds8

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

1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (PubChem CID 108907679) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
PubChem CID108907679
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
SMILESCCOc1ccc(NC(=O)N/C=C/c2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C20H24N2O4/c1-4-25-18-11-8-16(14-19(18)26-5-2)22-20(23)21-13-12-15-6-9-17(24-3)10-7-15/h6-14H,4-5H2,1-3H3,(H2,21,22,23)/b13-12+
InChIKeyYTOHUUUNHVSJBL-OUKQBFOZSA-N
XLogP4.28
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-ethoxyphenyl)urea
CID 108908387
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907784
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907811
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
1-(3,4-diethoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914314
(E)-N-(3,4-diethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 8840134
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea (CID 108907679) is 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is CCOc1ccc(NC(=O)N/C=C/c2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
The InChIKey is YTOHUUUNHVSJBL-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-25-18-11-8-16(14-19(18)26-5-2)22-20(23)21-13-12-15-6-9-17(24-3)10-7-15/h6-14H,4-5H2,1-3H3,(H2,21,22,23)/b13-12+.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea?
1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea has a molecular weight of 356.42 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108907679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).