sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid

C18H38NNaO5S — CID 174552501

IUPACsodium;hydride;(Z)-octadec-9-enamide;sulfuric acid
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C18H35NO.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;1-5(2,3)4;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);;(H2,1,2,3,4);/q;+1;;-1/b10-9-;;;
InChIKeyBNPRNSXZWORIPT-BZKIHGKGSA-N
MW403.56 g/mol
LogP1.97
Rot. Bonds15

About sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid

sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid (PubChem CID 174552501) has the molecular formula C18H38NNaO5S and a molecular weight of 403.56 g/mol. Its IUPAC name is sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid.

Molecular Properties

Compound Namesodium;hydride;(Z)-octadec-9-enamide;sulfuric acid
PubChem CID174552501
Molecular FormulaC18H38NNaO5S
Molecular Weight403.56 g/mol
Exact Mass403.24
IUPAC Namesodium;hydride;(Z)-octadec-9-enamide;sulfuric acid
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C18H35NO.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;1-5(2,3)4;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);;(H2,1,2,3,4);/q;+1;;-1/b10-9-;;;
InChIKeyBNPRNSXZWORIPT-BZKIHGKGSA-N
XLogP1.97
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
2-hydroxyethanesulfonic acid;(Z)-octadec-9-enamide
CID 174421600

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid?
The IUPAC name of sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid (CID 174552501) is sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid.
What is the SMILES notation for sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid?
The canonical SMILES for sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid is CCCCCCCC/C=C\CCCCCCCC(N)=O.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid?
The InChIKey is BNPRNSXZWORIPT-BZKIHGKGSA-N. The full InChI is InChI=1S/C18H35NO.Na.H2O4S.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;1-5(2,3)4;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);;(H2,1,2,3,4);/q;+1;;-1/b10-9-;;;.
What are the key properties of sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid?
sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid has a molecular weight of 403.56 g/mol, XLogP of 1.97, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(Z)-octadec-9-enamide;sulfuric acid is sourced from PubChem (CID 174552501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).