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

C17H20N2O2 — CID 108871644

IUPAC1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)Nc1ccccc1O
InChIInChI=1S/C17H20N2O2/c20-16-12-5-4-11-15(16)19-17(21)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,20H,6-7,10,13H2,(H2,18,19,21)
InChIKeyYOYSWJNXXGBWPH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.54
Rot. Bonds6

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

1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea (PubChem CID 108871644) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
PubChem CID108871644
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea
SMILESO=C(NCCCCc1ccccc1)Nc1ccccc1O
InChIInChI=1S/C17H20N2O2/c20-16-12-5-4-11-15(16)19-17(21)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,20H,6-7,10,13H2,(H2,18,19,21)
InChIKeyYOYSWJNXXGBWPH-UHFFFAOYSA-N
XLogP3.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
1-(2-iodophenyl)-3-(3-phenylpropyl)urea
CID 47192907
1-(2,4-difluorophenyl)-3-(4-phenylbutyl)urea
CID 24818673
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
1-(4-aminophenyl)-3-(4-phenylbutyl)urea
CID 108897090
1-(2-chloroethyl)-3-(2-hydroxyphenyl)urea
CID 108871425
8-phenyloctylcarbamic acid
CID 90271205
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
2-[(2-hydroxyphenyl)carbamoylamino]acetic acid
CID 19894710
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea?
The IUPAC name of 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea (CID 108871644) is 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea is O=C(NCCCCc1ccccc1)Nc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea?
The InChIKey is YOYSWJNXXGBWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16-12-5-4-11-15(16)19-17(21)18-13-7-6-10-14-8-2-1-3-9-14/h1-5,8-9,11-12,20H,6-7,10,13H2,(H2,18,19,21).
What are the key properties of 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea?
1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-(4-phenylbutyl)urea is sourced from PubChem (CID 108871644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).