disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride

C13H28N2Na2O2 — CID 173236386

IUPACdisodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride
SMILESCCCCCCCCCCC(=O)/N=C/C(N)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C13H26N2O2.2Na.2H/c1-2-3-4-5-6-7-8-9-10-13(17)15-11-12(14)16;;;;/h11-12,16H,2-10,14H2,1H3;;;;/q;2*+1;2*-1/b15-11+;;;;
InChIKeyKCAIWOHZWJBUIA-KJSXAQCBSA-N
MW290.36 g/mol
LogP-3.38
Rot. Bonds10

About disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride

disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride (PubChem CID 173236386) has the molecular formula C13H28N2Na2O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride.

Molecular Properties

Compound Namedisodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride
PubChem CID173236386
Molecular FormulaC13H28N2Na2O2
Molecular Weight290.36 g/mol
Exact Mass290.19
IUPAC Namedisodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride
SMILESCCCCCCCCCCC(=O)/N=C/C(N)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C13H26N2O2.2Na.2H/c1-2-3-4-5-6-7-8-9-10-13(17)15-11-12(14)16;;;;/h11-12,16H,2-10,14H2,1H3;;;;/q;2*+1;2*-1/b15-11+;;;;
InChIKeyKCAIWOHZWJBUIA-KJSXAQCBSA-N
XLogP-3.38
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-3.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-propylideneundecanamide
CID 90933467
N-(2-hydroxyethylidene)octadecanamide
CID 87088165
N-(2-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
N-tridecylidenedodecanamide
CID 87784437
N-(3-aminopropylidene)undecanamide
CID 87389177
(Z)-N-ethylideneoctadec-9-enamide
CID 174343608
(1-amino-2-hydroxypropyl) decanoate
CID 154318837
N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
sodium;hydride;2-hydroxytetradecan-3-one
CID 173221768
N-methylidenedocosanamide
CID 175417802
N-methylidenehexacosanamide
CID 89187174

Frequently Asked Questions

What is the IUPAC name of disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride?
The IUPAC name of disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride (CID 173236386) is disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride.
What is the SMILES notation for disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride?
The canonical SMILES for disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride is CCCCCCCCCCC(=O)/N=C/C(N)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride?
The InChIKey is KCAIWOHZWJBUIA-KJSXAQCBSA-N. The full InChI is InChI=1S/C13H26N2O2.2Na.2H/c1-2-3-4-5-6-7-8-9-10-13(17)15-11-12(14)16;;;;/h11-12,16H,2-10,14H2,1H3;;;;/q;2*+1;2*-1/b15-11+;;;;.
What are the key properties of disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride?
disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride has a molecular weight of 290.36 g/mol, XLogP of -3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;N-(2-amino-2-hydroxyethylidene)undecanamide;hydride is sourced from PubChem (CID 173236386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).