1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea

C18H20N2O — CID 108903240

IUPAC1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
SMILESCCN(Cc1ccccc1)C(=O)N/C=C/c1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-20(15-17-11-7-4-8-12-17)18(21)19-14-13-16-9-5-3-6-10-16/h3-14H,2,15H2,1H3,(H,19,21)/b14-13+
InChIKeyGQDRUKMWVUMCIC-BUHFOSPRSA-N
MW280.37 g/mol
LogP3.89
Rot. Bonds5

About 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea

1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea (PubChem CID 108903240) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea.

Molecular Properties

Compound Name1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
PubChem CID108903240
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea
SMILESCCN(Cc1ccccc1)C(=O)N/C=C/c1ccccc1
InChIInChI=1S/C18H20N2O/c1-2-20(15-17-11-7-4-8-12-17)18(21)19-14-13-16-9-5-3-6-10-16/h3-14H,2,15H2,1H3,(H,19,21)/b14-13+
InChIKeyGQDRUKMWVUMCIC-BUHFOSPRSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]-1-ethylurea
CID 108905100
1-benzyl-3-[(E)-3,3-dimethylbut-1-enyl]-1-ethylurea
CID 108911414
1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108908454
4-(diethylaminomethyl)-N-(2-phenylethenyl)benzamide
CID 174341683
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108906596
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
1-benzyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylurea
CID 108907948
1-benzyl-3-[(E)-2-(3-bromophenyl)ethenyl]-1-methylurea
CID 108906930
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
(2R)-2-[[benzyl(ethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010087

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea?
The IUPAC name of 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea (CID 108903240) is 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea.
What is the SMILES notation for 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea?
The canonical SMILES for 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea is CCN(Cc1ccccc1)C(=O)N/C=C/c1ccccc1.
What is the InChIKey of 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea?
The InChIKey is GQDRUKMWVUMCIC-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-20(15-17-11-7-4-8-12-17)18(21)19-14-13-16-9-5-3-6-10-16/h3-14H,2,15H2,1H3,(H,19,21)/b14-13+.
What are the key properties of 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea?
1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea has a molecular weight of 280.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-ethyl-3-[(E)-2-phenylethenyl]urea is sourced from PubChem (CID 108903240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).