N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide

C23H31NO3 — CID 168861521

IUPACN-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
SMILESCCCCCCCCCCN(C(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H31NO3/c1-2-3-4-5-6-7-8-9-18-24(20-12-16-22(26)17-13-20)23(27)19-10-14-21(25)15-11-19/h10-17,25-26H,2-9,18H2,1H3
InChIKeyMZXCWXPUFCIQNM-UHFFFAOYSA-N
MW369.50 g/mol
LogP5.89
Rot. Bonds11

About N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide

N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide (PubChem CID 168861521) has the molecular formula C23H31NO3 and a molecular weight of 369.50 g/mol. Its IUPAC name is N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound NameN-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
PubChem CID168861521
Molecular FormulaC23H31NO3
Molecular Weight369.50 g/mol
Exact Mass369.23
IUPAC NameN-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
SMILESCCCCCCCCCCN(C(=O)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C23H31NO3/c1-2-3-4-5-6-7-8-9-18-24(20-12-16-22(26)17-13-20)23(27)19-10-14-21(25)15-11-19/h10-17,25-26H,2-9,18H2,1H3
InChIKeyMZXCWXPUFCIQNM-UHFFFAOYSA-N
XLogP5.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.50
LogP ≤ 55.89
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 N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide (CID 168861521) is N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide is CCCCCCCCCCN(C(=O)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide?
The InChIKey is MZXCWXPUFCIQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-2-3-4-5-6-7-8-9-18-24(20-12-16-22(26)17-13-20)23(27)19-10-14-21(25)15-11-19/h10-17,25-26H,2-9,18H2,1H3.
What are the key properties of N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide?
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide has a molecular weight of 369.50 g/mol, XLogP of 5.89, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 168861521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).