N,N-dibenzyl-4-hydroxyundecanamide

C25H35NO2 — CID 10596029

IUPACN,N-dibenzyl-4-hydroxyundecanamide
SMILESCCCCCCCC(O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H35NO2/c1-2-3-4-5-12-17-24(27)18-19-25(28)26(20-22-13-8-6-9-14-22)21-23-15-10-7-11-16-23/h6-11,13-16,24,27H,2-5,12,17-21H2,1H3
InChIKeyBOMLRXZCEUIVFM-UHFFFAOYSA-N
MW381.56 g/mol
LogP5.72
Rot. Bonds13

About N,N-dibenzyl-4-hydroxyundecanamide

N,N-dibenzyl-4-hydroxyundecanamide (PubChem CID 10596029) has the molecular formula C25H35NO2 and a molecular weight of 381.56 g/mol. Its IUPAC name is N,N-dibenzyl-4-hydroxyundecanamide.

Molecular Properties

Compound NameN,N-dibenzyl-4-hydroxyundecanamide
PubChem CID10596029
Molecular FormulaC25H35NO2
Molecular Weight381.56 g/mol
Exact Mass381.27
IUPAC NameN,N-dibenzyl-4-hydroxyundecanamide
SMILESCCCCCCCC(O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H35NO2/c1-2-3-4-5-12-17-24(27)18-19-25(28)26(20-22-13-8-6-9-14-22)21-23-15-10-7-11-16-23/h6-11,13-16,24,27H,2-5,12,17-21H2,1H3
InChIKeyBOMLRXZCEUIVFM-UHFFFAOYSA-N
XLogP5.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 55.72
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

N,N'-(1,3-Phenylenebis(methylene))bis(12-hydroxyoctadecanamide)
CID 18471332
(2R,6R)-N,N',2,6-Tetrabenzyl-4-hydroxyheptanediamide
CID 5482935
(Z,12R)-12-hydroxy-N-[(1S)-1-phenylethyl]octadec-9-enamide
CID 49864759
(12R)-N-Benzyl-12-hydroxyoctadec-9-enamide
CID 49864757
(12R)-12-Hydroxy-N-[(1R)-1-phenylethyl]octadec-9-enamide
CID 49864758
8-hydroxy-N-(2-phenylethyl)pentadecanamide
CID 11726119
N-benzyl-2,2-difluoro-3-hydroxy-5-phenylpentanamide
CID 17761922
(2R,6R)-2,6-dibenzyl-4-hydroxy-N,N'-diisobutyl-heptanediamide
CID 489419
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
trans-N-benzyl-2-(1-hydroxy-3-phenylpropyl)cyclopentanecarboxamide
CID 44408979
7-[Acetyl(1-phenylnonyl)amino]heptanoic acid
CID 71399862
trans-N-benzyl-N-(2-cyclohex-1-en-1-ylethyl)-3-hydroxycyclohexanecarboxamide
CID 91763680

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-4-hydroxyundecanamide?
The IUPAC name of N,N-dibenzyl-4-hydroxyundecanamide (CID 10596029) is N,N-dibenzyl-4-hydroxyundecanamide.
What is the SMILES notation for N,N-dibenzyl-4-hydroxyundecanamide?
The canonical SMILES for N,N-dibenzyl-4-hydroxyundecanamide is CCCCCCCC(O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-4-hydroxyundecanamide?
The InChIKey is BOMLRXZCEUIVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO2/c1-2-3-4-5-12-17-24(27)18-19-25(28)26(20-22-13-8-6-9-14-22)21-23-15-10-7-11-16-23/h6-11,13-16,24,27H,2-5,12,17-21H2,1H3.
What are the key properties of N,N-dibenzyl-4-hydroxyundecanamide?
N,N-dibenzyl-4-hydroxyundecanamide has a molecular weight of 381.56 g/mol, XLogP of 5.72, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-4-hydroxyundecanamide is sourced from PubChem (CID 10596029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).