2-hydroxy-N,N-dioctadecylbenzamide

C43H79NO2 — CID 58731350

IUPAC2-hydroxy-N,N-dioctadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1ccccc1O
InChIInChI=1S/C43H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-44(43(46)41-37-33-34-38-42(41)45)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,45H,3-32,35-36,39-40H2,1-2H3
InChIKeyFTPPLHIKBRKIBT-UHFFFAOYSA-N
MW642.11 g/mol
LogP14.36
Rot. Bonds35

About 2-hydroxy-N,N-dioctadecylbenzamide

2-hydroxy-N,N-dioctadecylbenzamide (PubChem CID 58731350) has the molecular formula C43H79NO2 and a molecular weight of 642.11 g/mol. Its IUPAC name is 2-hydroxy-N,N-dioctadecylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dioctadecylbenzamide
PubChem CID58731350
Molecular FormulaC43H79NO2
Molecular Weight642.11 g/mol
Exact Mass641.61
IUPAC Name2-hydroxy-N,N-dioctadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1ccccc1O
InChIInChI=1S/C43H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-44(43(46)41-37-33-34-38-42(41)45)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,45H,3-32,35-36,39-40H2,1-2H3
InChIKeyFTPPLHIKBRKIBT-UHFFFAOYSA-N
XLogP14.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.11
LogP ≤ 514.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N,N-dipentylbenzamide
CID 4576290
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
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CID 60949991
decyl 2-(diheptylcarbamoyl)benzoate
CID 6424176
N-heptyl-N-(3-hydroxypropyl)-2-iodobenzamide
CID 61400671
N-(2-aminoethyl)-2-hydroxy-N-propylbenzamide
CID 61348969
2-bromo-N-dodecyl-N-ethylbenzamide
CID 91728318
2-methylpropyl 2-[di(undecyl)carbamoyl]benzoate
CID 6424181
docosane;2-hydroxybenzoic acid
CID 161423500
2-bromo-N,N-dibutylbenzamide
CID 2843235
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dioctadecylbenzamide?
The IUPAC name of 2-hydroxy-N,N-dioctadecylbenzamide (CID 58731350) is 2-hydroxy-N,N-dioctadecylbenzamide.
What is the SMILES notation for 2-hydroxy-N,N-dioctadecylbenzamide?
The canonical SMILES for 2-hydroxy-N,N-dioctadecylbenzamide is CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N,N-dioctadecylbenzamide?
The InChIKey is FTPPLHIKBRKIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-44(43(46)41-37-33-34-38-42(41)45)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38,45H,3-32,35-36,39-40H2,1-2H3.
What are the key properties of 2-hydroxy-N,N-dioctadecylbenzamide?
2-hydroxy-N,N-dioctadecylbenzamide has a molecular weight of 642.11 g/mol, XLogP of 14.36, 35 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dioctadecylbenzamide is sourced from PubChem (CID 58731350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).