sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride

C22H45N2NaO4 — CID 173090653

IUPACsodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
SMILESCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C22H44N2O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(26)23-16-17-24(18-19-25)20-22(27)28;;/h25H,2-20H2,1H3,(H,23,26)(H,27,28);;/q;+1;-1
InChIKeyIWYIYGJMWFUDOK-UHFFFAOYSA-N
MW424.60 g/mol
LogP1.08
Rot. Bonds21

About sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride

sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride (PubChem CID 173090653) has the molecular formula C22H45N2NaO4 and a molecular weight of 424.60 g/mol. Its IUPAC name is sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
PubChem CID173090653
Molecular FormulaC22H45N2NaO4
Molecular Weight424.60 g/mol
Exact Mass424.33
IUPAC Namesodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
SMILESCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C22H44N2O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(26)23-16-17-24(18-19-25)20-22(27)28;;/h25H,2-20H2,1H3,(H,23,26)(H,27,28);;/q;+1;-1
InChIKeyIWYIYGJMWFUDOK-UHFFFAOYSA-N
XLogP1.08
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.60
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 23173744
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
CID 23668680
sodium 2-[2-hydroxyethyl-[2-(undecanoylamino)ethyl]amino]acetate
CID 141154076
2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
CID 76965788
sodium 2-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]acetate
CID 57356269
2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid
CID 135346649
sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride
CID 174760447
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
CID 6437128
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride?
The IUPAC name of sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride (CID 173090653) is sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride.
What is the SMILES notation for sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride?
The canonical SMILES for sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride is CCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride?
The InChIKey is IWYIYGJMWFUDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(26)23-16-17-24(18-19-25)20-22(27)28;;/h25H,2-20H2,1H3,(H,23,26)(H,27,28);;/q;+1;-1.
What are the key properties of sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride?
sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride has a molecular weight of 424.60 g/mol, XLogP of 1.08, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride is sourced from PubChem (CID 173090653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).