1-[(E)-2-phenylethenyl]-3-propylurea

C12H16N2O — CID 108903089

IUPAC1-[(E)-2-phenylethenyl]-3-propylurea
SMILESCCCNC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-9-13-12(15)14-10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H2,13,14,15)/b10-8+
InChIKeyJAGRTOCFVXJQBZ-CSKARUKUSA-N
MW204.27 g/mol
LogP2.37
Rot. Bonds4

About 1-[(E)-2-phenylethenyl]-3-propylurea

1-[(E)-2-phenylethenyl]-3-propylurea (PubChem CID 108903089) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]-3-propylurea.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]-3-propylurea
PubChem CID108903089
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-[(E)-2-phenylethenyl]-3-propylurea
SMILESCCCNC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-9-13-12(15)14-10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H2,13,14,15)/b10-8+
InChIKeyJAGRTOCFVXJQBZ-CSKARUKUSA-N
XLogP2.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(4-chlorophenyl)ethenyl]-3-propylurea
CID 108908294
2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
CID 144801292
1-butyl-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907214
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
N-(2-phenylethenyl)acetamide
CID 54032077
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-pentylurea
CID 108906578
2-phenylethenylcarbamic acid
CID 151881054
3-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]propanoic acid
CID 108907171
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108903266
3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
2-ethoxy-N-(2-phenylethenyl)acetamide
CID 174278279

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]-3-propylurea?
The IUPAC name of 1-[(E)-2-phenylethenyl]-3-propylurea (CID 108903089) is 1-[(E)-2-phenylethenyl]-3-propylurea.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]-3-propylurea?
The canonical SMILES for 1-[(E)-2-phenylethenyl]-3-propylurea is CCCNC(=O)N/C=C/c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]-3-propylurea?
The InChIKey is JAGRTOCFVXJQBZ-CSKARUKUSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-9-13-12(15)14-10-8-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H2,13,14,15)/b10-8+.
What are the key properties of 1-[(E)-2-phenylethenyl]-3-propylurea?
1-[(E)-2-phenylethenyl]-3-propylurea has a molecular weight of 204.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]-3-propylurea is sourced from PubChem (CID 108903089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).