N,N'-bis(2-hydroxypropyl)octadec-9-enediamide

C24H46N2O4 — CID 76514668

IUPACN,N'-bis(2-hydroxypropyl)octadec-9-enediamide
SMILESCC(O)CNC(=O)CCCCCCCC=CCCCCCCCC(=O)NCC(C)O
InChIInChI=1S/C24H46N2O4/c1-21(27)19-25-23(29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(30)26-20-22(2)28/h3-4,21-22,27-28H,5-20H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyZSLNJTNYGHVEBB-UHFFFAOYSA-N
MW426.64 g/mol
LogP4.00
Rot. Bonds20

About N,N'-bis(2-hydroxypropyl)octadec-9-enediamide

N,N'-bis(2-hydroxypropyl)octadec-9-enediamide (PubChem CID 76514668) has the molecular formula C24H46N2O4 and a molecular weight of 426.64 g/mol. Its IUPAC name is N,N'-bis(2-hydroxypropyl)octadec-9-enediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxypropyl)octadec-9-enediamide
PubChem CID76514668
Molecular FormulaC24H46N2O4
Molecular Weight426.64 g/mol
Exact Mass426.35
IUPAC NameN,N'-bis(2-hydroxypropyl)octadec-9-enediamide
SMILESCC(O)CNC(=O)CCCCCCCC=CCCCCCCCC(=O)NCC(C)O
InChIInChI=1S/C24H46N2O4/c1-21(27)19-25-23(29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(30)26-20-22(2)28/h3-4,21-22,27-28H,5-20H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyZSLNJTNYGHVEBB-UHFFFAOYSA-N
XLogP4.00
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.64
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(12R)-12-hydroxy-N-(2-hydroxypropyl)octadec-9-enamide
CID 54105430
N-(2-hydroxypropyl)nonadecanamide
CID 102118860
5-chloro-N-[(2S)-2-hydroxypropyl]pentanamide
CID 107216739
N-(2-hydroxypropyl)dodecanamide;phosphoric acid
CID 175492996
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
N-[(Z,2S)-2-hydroxyheptadec-3-enyl]hexadecanamide
CID 172946526
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
N-(2-hydroxyoctadecyl)-17-oxooctatriacont-29-enamide
CID 54094491
N-[(2S)-2-hydroxyoctadecyl]-31-oxodopentacont-43-enamide
CID 57306980
12-hydroxy-N-[2-hydroxy-3-(12-hydroxyoctadec-9-enoylamino)propyl]octadec-9-enamide
CID 54253409
(Z)-N-[(3R)-3-amino-4-hydroxy-2-methylbutyl]octadec-9-enamide
CID 118235409

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxypropyl)octadec-9-enediamide?
The IUPAC name of N,N'-bis(2-hydroxypropyl)octadec-9-enediamide (CID 76514668) is N,N'-bis(2-hydroxypropyl)octadec-9-enediamide.
What is the SMILES notation for N,N'-bis(2-hydroxypropyl)octadec-9-enediamide?
The canonical SMILES for N,N'-bis(2-hydroxypropyl)octadec-9-enediamide is CC(O)CNC(=O)CCCCCCCC=CCCCCCCCC(=O)NCC(C)O.
What is the InChIKey of N,N'-bis(2-hydroxypropyl)octadec-9-enediamide?
The InChIKey is ZSLNJTNYGHVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O4/c1-21(27)19-25-23(29)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(30)26-20-22(2)28/h3-4,21-22,27-28H,5-20H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N,N'-bis(2-hydroxypropyl)octadec-9-enediamide?
N,N'-bis(2-hydroxypropyl)octadec-9-enediamide has a molecular weight of 426.64 g/mol, XLogP of 4.00, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-hydroxypropyl)octadec-9-enediamide is sourced from PubChem (CID 76514668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).