4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide

C18H21NO3 — CID 168861520

IUPAC4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-13(2)11-12-19(15-5-9-17(21)10-6-15)18(22)14-3-7-16(20)8-4-14/h3-10,13,20-21H,11-12H2,1-2H3
InChIKeyIIQNCRGYQNJROG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.79
Rot. Bonds5

About 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide

4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide (PubChem CID 168861520) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide
PubChem CID168861520
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide
SMILESCC(C)CCN(C(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H21NO3/c1-13(2)11-12-19(15-5-9-17(21)10-6-15)18(22)14-3-7-16(20)8-4-14/h3-10,13,20-21H,11-12H2,1-2H3
InChIKeyIIQNCRGYQNJROG-UHFFFAOYSA-N
XLogP3.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide (CID 168861520) is 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide is CC(C)CCN(C(=O)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide?
The InChIKey is IIQNCRGYQNJROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(2)11-12-19(15-5-9-17(21)10-6-15)18(22)14-3-7-16(20)8-4-14/h3-10,13,20-21H,11-12H2,1-2H3.
What are the key properties of 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide?
4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 168861520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).