1-benzyl-3-(3-phenylpropyl)urea

C17H20N2O — CID 10754392

IUPAC1-benzyl-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H2,18,19,20)
InChIKeyODFKHHNFRREBHY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.12
Rot. Bonds6

About 1-benzyl-3-(3-phenylpropyl)urea

1-benzyl-3-(3-phenylpropyl)urea (PubChem CID 10754392) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-benzyl-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-phenylpropyl)urea
PubChem CID10754392
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-benzyl-3-(3-phenylpropyl)urea
SMILESO=C(NCCCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H2,18,19,20)
InChIKeyODFKHHNFRREBHY-UHFFFAOYSA-N
XLogP3.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(3-phenylpropyl)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-benzyl-3-(3-phenylpropyl)urea?
The IUPAC name of 1-benzyl-3-(3-phenylpropyl)urea (CID 10754392) is 1-benzyl-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-benzyl-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-benzyl-3-(3-phenylpropyl)urea is O=C(NCCCc1ccccc1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-phenylpropyl)urea?
The InChIKey is ODFKHHNFRREBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(19-14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H2,18,19,20).
What are the key properties of 1-benzyl-3-(3-phenylpropyl)urea?
1-benzyl-3-(3-phenylpropyl)urea has a molecular weight of 268.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-phenylpropyl)urea is sourced from PubChem (CID 10754392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).