1-(4-methylphenyl)-3-(3-phenylpropyl)urea

C17H20N2O — CID 2237279

IUPAC1-(4-methylphenyl)-3-(3-phenylpropyl)urea
SMILESCc1ccc(NC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-14-9-11-16(12-10-14)19-17(20)18-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H2,18,19,20)
InChIKeyOFUIGASSRLGSBB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.75
Rot. Bonds5

About 1-(4-methylphenyl)-3-(3-phenylpropyl)urea

1-(4-methylphenyl)-3-(3-phenylpropyl)urea (PubChem CID 2237279) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(3-phenylpropyl)urea
PubChem CID2237279
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(4-methylphenyl)-3-(3-phenylpropyl)urea
SMILESCc1ccc(NC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C17H20N2O/c1-14-9-11-16(12-10-14)19-17(20)18-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H2,18,19,20)
InChIKeyOFUIGASSRLGSBB-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(3-phenylpropyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(3-phenylpropyl)urea (CID 2237279) is 1-(4-methylphenyl)-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(3-phenylpropyl)urea is Cc1ccc(NC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(3-phenylpropyl)urea?
The InChIKey is OFUIGASSRLGSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14-9-11-16(12-10-14)19-17(20)18-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-methylphenyl)-3-(3-phenylpropyl)urea?
1-(4-methylphenyl)-3-(3-phenylpropyl)urea has a molecular weight of 268.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(3-phenylpropyl)urea is sourced from PubChem (CID 2237279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).