1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea

C19H24N2O3 — CID 24818586

IUPAC1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCCCCc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-23-16-11-12-18(24-2)17(14-16)21-19(22)20-13-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H2,20,21,22)
InChIKeyUHLOHNSMCCZKNN-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.85
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea

1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea (PubChem CID 24818586) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea
PubChem CID24818586
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NCCCCc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-23-16-11-12-18(24-2)17(14-16)21-19(22)20-13-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H2,20,21,22)
InChIKeyUHLOHNSMCCZKNN-UHFFFAOYSA-N
XLogP3.85
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea (CID 24818586) is 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea is COc1ccc(OC)c(NC(=O)NCCCCc2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea?
The InChIKey is UHLOHNSMCCZKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-16-11-12-18(24-2)17(14-16)21-19(22)20-13-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,6-7,10,13H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea?
1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 24818586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).