1-phenyl-3-(3-phenylprop-2-enyl)urea

C16H16N2O — CID 67941809

IUPAC1-phenyl-3-(3-phenylprop-2-enyl)urea
SMILESO=C(NCC=Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H16N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2,(H2,17,18,19)
InChIKeyGAFTZLJXJGEOGF-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.52
Rot. Bonds4

About 1-phenyl-3-(3-phenylprop-2-enyl)urea

1-phenyl-3-(3-phenylprop-2-enyl)urea (PubChem CID 67941809) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylprop-2-enyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylprop-2-enyl)urea
PubChem CID67941809
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-phenyl-3-(3-phenylprop-2-enyl)urea
SMILESO=C(NCC=Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H16N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2,(H2,17,18,19)
InChIKeyGAFTZLJXJGEOGF-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-phenyl-3-(3-phenylprop-2-enyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylprop-2-enylcarbamothioic S-acid
CID 173357040
N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide
CID 75533226
2-[[(Z)-3-phenylprop-2-enyl]amino]acetic acid
CID 99726876
N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
1-(6-chlorohexyl)-3-[4-(2-phenylethenyl)phenyl]urea
CID 5240562
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-phenylurea
CID 110642330
N'-hydroxy-N-phenylpropanediamide
CID 20721653
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(E)-3-phenylprop-2-enyl]urea
CID 111631019
methyl 8-oxo-8-(3-phenylprop-2-enylamino)octanoate
CID 66958561
3-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 75407300
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylprop-2-enyl)urea?
The IUPAC name of 1-phenyl-3-(3-phenylprop-2-enyl)urea (CID 67941809) is 1-phenyl-3-(3-phenylprop-2-enyl)urea.
What is the SMILES notation for 1-phenyl-3-(3-phenylprop-2-enyl)urea?
The canonical SMILES for 1-phenyl-3-(3-phenylprop-2-enyl)urea is O=C(NCC=Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(3-phenylprop-2-enyl)urea?
The InChIKey is GAFTZLJXJGEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2,(H2,17,18,19).
What are the key properties of 1-phenyl-3-(3-phenylprop-2-enyl)urea?
1-phenyl-3-(3-phenylprop-2-enyl)urea has a molecular weight of 252.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylprop-2-enyl)urea is sourced from PubChem (CID 67941809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).