1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea

C19H24N2O3 — CID 108868115

IUPAC1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-23-16-12-8-13-17(24-2)18(16)21-19(22)20-14-7-6-11-15-9-4-3-5-10-15/h3-5,8-10,12-13H,6-7,11,14H2,1-2H3,(H2,20,21,22)
InChIKeyZPCXLAHATLYYSQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.85
Rot. Bonds8

About 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea

1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea (PubChem CID 108868115) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
PubChem CID108868115
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NCCCCc1ccccc1
InChIInChI=1S/C19H24N2O3/c1-23-16-12-8-13-17(24-2)18(16)21-19(22)20-14-7-6-11-15-9-4-3-5-10-15/h3-5,8-10,12-13H,6-7,11,14H2,1-2H3,(H2,20,21,22)
InChIKeyZPCXLAHATLYYSQ-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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Related Compounds

1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
3-methyl-2-(4-phenylbutylcarbamoylamino)benzoic acid
CID 70351149
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
3-methyl-2-(5-phenylpentylcarbamoylamino)benzoic acid
CID 70351089
1-(2-methoxyphenyl)-3-[3-(3-methylphenyl)propyl]urea
CID 84518898
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
CID 108871644
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217263
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea (CID 108868115) is 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea is COc1cccc(OC)c1NC(=O)NCCCCc1ccccc1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea?
The InChIKey is ZPCXLAHATLYYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-16-12-8-13-17(24-2)18(16)21-19(22)20-14-7-6-11-15-9-4-3-5-10-15/h3-5,8-10,12-13H,6-7,11,14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea?
1-(2,6-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-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 108868115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).