1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea

C19H24N2O — CID 108891276

IUPAC1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea
SMILESCc1ccc(CCNC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-16-9-11-18(12-10-16)13-15-21-19(22)20-14-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H2,20,21,22)
InChIKeyFFHVVSQAMUVKAD-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.47
Rot. Bonds7

About 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea

1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea (PubChem CID 108891276) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea
PubChem CID108891276
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea
SMILESCc1ccc(CCNC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C19H24N2O/c1-16-9-11-18(12-10-16)13-15-21-19(22)20-14-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H2,20,21,22)
InChIKeyFFHVVSQAMUVKAD-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.47
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-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea?
The IUPAC name of 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea (CID 108891276) is 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea.
What is the SMILES notation for 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea?
The canonical SMILES for 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea is Cc1ccc(CCNC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea?
The InChIKey is FFHVVSQAMUVKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16-9-11-18(12-10-16)13-15-21-19(22)20-14-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea?
1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea has a molecular weight of 296.41 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)ethyl]-3-(3-phenylpropyl)urea is sourced from PubChem (CID 108891276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).