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

C18H20N2O — CID 108903493

IUPAC1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
SMILESCc1ccccc1/C=C/NC(=O)NCCc1ccccc1
InChIInChI=1S/C18H20N2O/c1-15-7-5-6-10-17(15)12-14-20-18(21)19-13-11-16-8-3-2-4-9-16/h2-10,12,14H,11,13H2,1H3,(H2,19,20,21)/b14-12+
InChIKeyQOGJPUNAXFPXLQ-WYMLVPIESA-N
MW280.37 g/mol
LogP3.51
Rot. Bonds5

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

1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea (PubChem CID 108903493) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
PubChem CID108903493
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea
SMILESCc1ccccc1/C=C/NC(=O)NCCc1ccccc1
InChIInChI=1S/C18H20N2O/c1-15-7-5-6-10-17(15)12-14-20-18(21)19-13-11-16-8-3-2-4-9-16/h2-10,12,14H,11,13H2,1H3,(H2,19,20,21)/b14-12+
InChIKeyQOGJPUNAXFPXLQ-WYMLVPIESA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methoxyethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903488
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108905287
1-[(4-fluorophenyl)methyl]-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903690
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 9392275
1-(1,3-benzodioxol-5-ylmethyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903510
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903472
1-[2-(4-methylphenyl)ethyl]-3-[(E)-prop-1-enyl]urea
CID 108909730
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904241
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]urea
CID 108905000
1-(3,4-dimethylphenyl)-3-(2-phenylethyl)urea
CID 6470547
1-cyclododecyl-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903567
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea (CID 108903493) is 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea is Cc1ccccc1/C=C/NC(=O)NCCc1ccccc1.
What is the InChIKey of 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea?
The InChIKey is QOGJPUNAXFPXLQ-WYMLVPIESA-N. The full InChI is InChI=1S/C18H20N2O/c1-15-7-5-6-10-17(15)12-14-20-18(21)19-13-11-16-8-3-2-4-9-16/h2-10,12,14H,11,13H2,1H3,(H2,19,20,21)/b14-12+.
What are the key properties of 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea?
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea has a molecular weight of 280.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 108903493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).