sodium;N-ethyl-N-undecanoylundecanamide;hydride

C24H48NNaO2 — CID 173159792

IUPACsodium;N-ethyl-N-undecanoylundecanamide;hydride
SMILESCCCCCCCCCCC(=O)N(CC)C(=O)CCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/C24H47NO2.Na.H/c1-4-7-9-11-13-15-17-19-21-23(26)25(6-3)24(27)22-20-18-16-14-12-10-8-5-2;;/h4-22H2,1-3H3;;/q;+1;-1
InChIKeyHRYXJVIKTIVJCP-UHFFFAOYSA-N
MW405.64 g/mol
LogP4.54
Rot. Bonds19

About sodium;N-ethyl-N-undecanoylundecanamide;hydride

sodium;N-ethyl-N-undecanoylundecanamide;hydride (PubChem CID 173159792) has the molecular formula C24H48NNaO2 and a molecular weight of 405.64 g/mol. Its IUPAC name is sodium;N-ethyl-N-undecanoylundecanamide;hydride.

Molecular Properties

Compound Namesodium;N-ethyl-N-undecanoylundecanamide;hydride
PubChem CID173159792
Molecular FormulaC24H48NNaO2
Molecular Weight405.64 g/mol
Exact Mass405.36
IUPAC Namesodium;N-ethyl-N-undecanoylundecanamide;hydride
SMILESCCCCCCCCCCC(=O)N(CC)C(=O)CCCCCCCCCC.[H-].[Na+]
InChIInChI=1S/C24H47NO2.Na.H/c1-4-7-9-11-13-15-17-19-21-23(26)25(6-3)24(27)22-20-18-16-14-12-10-8-5-2;;/h4-22H2,1-3H3;;/q;+1;-1
InChIKeyHRYXJVIKTIVJCP-UHFFFAOYSA-N
XLogP4.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.64
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N-ethyl-N-hexadecanoylhexadecanamide;methyl hydrogen sulfate
CID 173235379
N-(2-amino-2-oxoethyl)-N-hexadecanoylhexadecanamide
CID 87387008
N-decanoyl-N-methyldecanamide
CID 141076390
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080
N-hydroxy-N-methyloctadecanamide
CID 19818891
N,N-dimethyldodecanamide;hydrochloride
CID 173149987
sodium;dodecanoic acid;hydride
CID 173060618
disodium;hydride;tetradecanoic acid
CID 175149200
sodium;decanoic acid;hydride;tetradecanoic acid
CID 173314479
disodium;hydride;icosanoic acid
CID 175560905

Frequently Asked Questions

What is the IUPAC name of sodium;N-ethyl-N-undecanoylundecanamide;hydride?
The IUPAC name of sodium;N-ethyl-N-undecanoylundecanamide;hydride (CID 173159792) is sodium;N-ethyl-N-undecanoylundecanamide;hydride.
What is the SMILES notation for sodium;N-ethyl-N-undecanoylundecanamide;hydride?
The canonical SMILES for sodium;N-ethyl-N-undecanoylundecanamide;hydride is CCCCCCCCCCC(=O)N(CC)C(=O)CCCCCCCCCC.[H-].[Na+].
What is the InChIKey of sodium;N-ethyl-N-undecanoylundecanamide;hydride?
The InChIKey is HRYXJVIKTIVJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO2.Na.H/c1-4-7-9-11-13-15-17-19-21-23(26)25(6-3)24(27)22-20-18-16-14-12-10-8-5-2;;/h4-22H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;N-ethyl-N-undecanoylundecanamide;hydride?
sodium;N-ethyl-N-undecanoylundecanamide;hydride has a molecular weight of 405.64 g/mol, XLogP of 4.54, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-ethyl-N-undecanoylundecanamide;hydride is sourced from PubChem (CID 173159792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).