1-phenyl-3-[(E)-1-phenylpropylideneamino]urea

C16H17N3O — CID 6944388

IUPAC1-phenyl-3-[(E)-1-phenylpropylideneamino]urea
SMILESCC/C(=N\NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-2-15(13-9-5-3-6-10-13)18-19-16(20)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,17,19,20)/b18-15+
InChIKeySOZKWXUUJPBYEB-OBGWFSINSA-N
MW267.33 g/mol
LogP3.62
Rot. Bonds4

About 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea

1-phenyl-3-[(E)-1-phenylpropylideneamino]urea (PubChem CID 6944388) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(E)-1-phenylpropylideneamino]urea
PubChem CID6944388
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-phenyl-3-[(E)-1-phenylpropylideneamino]urea
SMILESCC/C(=N\NC(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-2-15(13-9-5-3-6-10-13)18-19-16(20)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,17,19,20)/b18-15+
InChIKeySOZKWXUUJPBYEB-OBGWFSINSA-N
XLogP3.62
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea?
The IUPAC name of 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea (CID 6944388) is 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea.
What is the SMILES notation for 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea?
The canonical SMILES for 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea is CC/C(=N\NC(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea?
The InChIKey is SOZKWXUUJPBYEB-OBGWFSINSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-15(13-9-5-3-6-10-13)18-19-16(20)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,17,19,20)/b18-15+.
What are the key properties of 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea?
1-phenyl-3-[(E)-1-phenylpropylideneamino]urea has a molecular weight of 267.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(E)-1-phenylpropylideneamino]urea is sourced from PubChem (CID 6944388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).