1-(4-phenylphenyl)-3-prop-2-enylurea

C16H16N2O — CID 23990496

IUPAC1-(4-phenylphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O/c1-2-12-17-16(19)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11H,1,12H2,(H2,17,18,19)
InChIKeyNLEDLTVXDXQMPJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-phenylphenyl)-3-prop-2-enylurea

1-(4-phenylphenyl)-3-prop-2-enylurea (PubChem CID 23990496) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(4-phenylphenyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(4-phenylphenyl)-3-prop-2-enylurea
PubChem CID23990496
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-(4-phenylphenyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H16N2O/c1-2-12-17-16(19)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11H,1,12H2,(H2,17,18,19)
InChIKeyNLEDLTVXDXQMPJ-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(4-phenylphenyl)-3-prop-2-enylurea 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

4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
CID 55540187
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
1-(6-phenoxy-3-pyridinyl)-3-prop-2-enylurea
CID 42878418
1-(3-methylphenyl)-3-[4-(prop-2-enylcarbamoylamino)phenyl]urea
CID 36517218
5-(prop-2-enylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 61193523
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
3-[4-(prop-2-enylcarbamoylamino)phenyl]butanoic acid
CID 113420057
1-(2-chlorophenyl)-3-prop-2-enylurea
CID 4277664
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119278037

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)-3-prop-2-enylurea?
The IUPAC name of 1-(4-phenylphenyl)-3-prop-2-enylurea (CID 23990496) is 1-(4-phenylphenyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(4-phenylphenyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(4-phenylphenyl)-3-prop-2-enylurea is C=CCNC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)-3-prop-2-enylurea?
The InChIKey is NLEDLTVXDXQMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-12-17-16(19)18-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h2-11H,1,12H2,(H2,17,18,19).
What are the key properties of 1-(4-phenylphenyl)-3-prop-2-enylurea?
1-(4-phenylphenyl)-3-prop-2-enylurea has a molecular weight of 252.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)-3-prop-2-enylurea is sourced from PubChem (CID 23990496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).