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

C18H18N2O2 — CID 108905411

IUPAC1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCC(=O)c1ccc(NC(=O)N/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-4-3-5-15(12-13)10-11-19-18(22)20-17-8-6-16(7-9-17)14(2)21/h3-12H,1-2H3,(H2,19,20,22)/b11-10+
InChIKeyQFVGDBPRSQSQAW-ZHACJKMWSA-N
MW294.35 g/mol
LogP3.99
Rot. Bonds4

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

1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea (PubChem CID 108905411) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
PubChem CID108905411
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCC(=O)c1ccc(NC(=O)N/C=C/c2cccc(C)c2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-4-3-5-15(12-13)10-11-19-18(22)20-17-8-6-16(7-9-17)14(2)21/h3-12H,1-2H3,(H2,19,20,22)/b11-10+
InChIKeyQFVGDBPRSQSQAW-ZHACJKMWSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(diethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905550
1-[(E)-2-(3-methylphenyl)ethenyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108905514
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-[(E)-2-(3-methylphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905451
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
CID 108905502
1-(2-amino-4-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905616
1-(3-chloro-2-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905323
ethyl 4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]benzoate
CID 108906070
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea (CID 108905411) is 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea is CC(=O)c1ccc(NC(=O)N/C=C/c2cccc(C)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The InChIKey is QFVGDBPRSQSQAW-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-4-3-5-15(12-13)10-11-19-18(22)20-17-8-6-16(7-9-17)14(2)21/h3-12H,1-2H3,(H2,19,20,22)/b11-10+.
What are the key properties of 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea has a molecular weight of 294.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108905411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).