1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea

C18H22N2O2 — CID 24818737

IUPAC1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea
SMILESCOc1ccc(NC(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-22-17-12-10-16(11-13-17)20-18(21)19-14-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H2,19,20,21)
InChIKeyITQRYEYMGFPFPG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.84
Rot. Bonds7

About 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea

1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea (PubChem CID 24818737) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea
PubChem CID24818737
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea
SMILESCOc1ccc(NC(=O)NCCCCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O2/c1-22-17-12-10-16(11-13-17)20-18(21)19-14-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H2,19,20,21)
InChIKeyITQRYEYMGFPFPG-UHFFFAOYSA-N
XLogP3.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methoxyphenyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea (CID 24818737) is 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea is COc1ccc(NC(=O)NCCCCc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea?
The InChIKey is ITQRYEYMGFPFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-22-17-12-10-16(11-13-17)20-18(21)19-14-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,10-13H,5-6,9,14H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea?
1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 24818737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).