disodium;hydride;N'-octadecylbutanediamide

C22H46N2Na2O2 — CID 175169535

IUPACdisodium;hydride;N'-octadecylbutanediamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCC(N)=O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C22H44N2O2.2Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22(26)19-18-21(23)25;;;;/h2-20H2,1H3,(H2,23,25)(H,24,26);;;;/q;2*+1;2*-1
InChIKeyUGCOXIMCXZHITK-UHFFFAOYSA-N
MW416.60 g/mol
LogP-0.14
Rot. Bonds20

About disodium;hydride;N'-octadecylbutanediamide

disodium;hydride;N'-octadecylbutanediamide (PubChem CID 175169535) has the molecular formula C22H46N2Na2O2 and a molecular weight of 416.60 g/mol. Its IUPAC name is disodium;hydride;N'-octadecylbutanediamide.

Molecular Properties

Compound Namedisodium;hydride;N'-octadecylbutanediamide
PubChem CID175169535
Molecular FormulaC22H46N2Na2O2
Molecular Weight416.60 g/mol
Exact Mass416.34
IUPAC Namedisodium;hydride;N'-octadecylbutanediamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCC(N)=O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C22H44N2O2.2Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22(26)19-18-21(23)25;;;;/h2-20H2,1H3,(H2,23,25)(H,24,26);;;;/q;2*+1;2*-1
InChIKeyUGCOXIMCXZHITK-UHFFFAOYSA-N
XLogP-0.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-dodecylbutanediamide
CID 19973702
N'-icosylbutanediamide
CID 175408923
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N'-butylbutanediamide
CID 12550556
N'-heptylundecanediamide;propanoic acid
CID 175230905
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;N'-octadecylbutanediamide?
The IUPAC name of disodium;hydride;N'-octadecylbutanediamide (CID 175169535) is disodium;hydride;N'-octadecylbutanediamide.
What is the SMILES notation for disodium;hydride;N'-octadecylbutanediamide?
The canonical SMILES for disodium;hydride;N'-octadecylbutanediamide is CCCCCCCCCCCCCCCCCCNC(=O)CCC(N)=O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;N'-octadecylbutanediamide?
The InChIKey is UGCOXIMCXZHITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O2.2Na.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-22(26)19-18-21(23)25;;;;/h2-20H2,1H3,(H2,23,25)(H,24,26);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;N'-octadecylbutanediamide?
disodium;hydride;N'-octadecylbutanediamide has a molecular weight of 416.60 g/mol, XLogP of -0.14, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;N'-octadecylbutanediamide is sourced from PubChem (CID 175169535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).