1-(2-methylphenyl)-3-(4-phenylbutyl)urea

C18H22N2O — CID 24819105

IUPAC1-(2-methylphenyl)-3-(4-phenylbutyl)urea
SMILESCc1ccccc1NC(=O)NCCCCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15-9-5-6-13-17(15)20-18(21)19-14-8-7-12-16-10-3-2-4-11-16/h2-6,9-11,13H,7-8,12,14H2,1H3,(H2,19,20,21)
InChIKeyMVDLBANORSFVMK-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.14
Rot. Bonds6

About 1-(2-methylphenyl)-3-(4-phenylbutyl)urea

1-(2-methylphenyl)-3-(4-phenylbutyl)urea (PubChem CID 24819105) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(4-phenylbutyl)urea
PubChem CID24819105
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(2-methylphenyl)-3-(4-phenylbutyl)urea
SMILESCc1ccccc1NC(=O)NCCCCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15-9-5-6-13-17(15)20-18(21)19-14-8-7-12-16-10-3-2-4-11-16/h2-6,9-11,13H,7-8,12,14H2,1H3,(H2,19,20,21)
InChIKeyMVDLBANORSFVMK-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.14
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-methylphenyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(4-phenylbutyl)urea (CID 24819105) is 1-(2-methylphenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(4-phenylbutyl)urea is Cc1ccccc1NC(=O)NCCCCc1ccccc1.
What is the InChIKey of 1-(2-methylphenyl)-3-(4-phenylbutyl)urea?
The InChIKey is MVDLBANORSFVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-9-5-6-13-17(15)20-18(21)19-14-8-7-12-16-10-3-2-4-11-16/h2-6,9-11,13H,7-8,12,14H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-methylphenyl)-3-(4-phenylbutyl)urea?
1-(2-methylphenyl)-3-(4-phenylbutyl)urea has a molecular weight of 282.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 24819105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).