1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea

C18H20N2O3 — CID 108907165

IUPAC1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
SMILESCOc1ccc(NC(=O)N/C=C/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)10-11-19-18(21)20-15-8-9-16(22-2)17(12-15)23-3/h4-12H,1-3H3,(H2,19,20,21)/b11-10+
InChIKeyBHSSXHDLAUWBHW-ZHACJKMWSA-N
MW312.37 g/mol
LogP3.80
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea

1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea (PubChem CID 108907165) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
PubChem CID108907165
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
SMILESCOc1ccc(NC(=O)N/C=C/c2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)10-11-19-18(21)20-15-8-9-16(22-2)17(12-15)23-3/h4-12H,1-3H3,(H2,19,20,21)/b11-10+
InChIKeyBHSSXHDLAUWBHW-ZHACJKMWSA-N
XLogP3.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108907908
(E)-N-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 967235
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907679
(E)-3-[4-[(3,4-dimethoxyphenyl)carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
CID 11068279
3-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108907176
1-(cyclopentylidenemethyl)-3-(3,4-dimethoxyphenyl)urea
CID 108913424
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]acetamide
CID 141461725
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenoxy)methyl]urea
CID 108892792
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
1-(3,4-dimethoxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914916

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea (CID 108907165) is 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea is COc1ccc(NC(=O)N/C=C/c2ccc(C)cc2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
The InChIKey is BHSSXHDLAUWBHW-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-4-6-14(7-5-13)10-11-19-18(21)20-15-8-9-16(22-2)17(12-15)23-3/h4-12H,1-3H3,(H2,19,20,21)/b11-10+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea has a molecular weight of 312.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108907165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).