sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate

C24H47N2NaO4 — CID 23668680

IUPACsodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-].[Na+]
InChIInChI=1S/C24H48N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h27H,2-22H2,1H3,(H,25,28)(H,29,30);/q;+1/p-1
InChIKeyZKBGPOVFSMIXBF-UHFFFAOYSA-M
MW450.64 g/mol
LogP0.41
Rot. Bonds23

About sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate

sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate (PubChem CID 23668680) has the molecular formula C24H47N2NaO4 and a molecular weight of 450.64 g/mol. Its IUPAC name is sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namesodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
PubChem CID23668680
Molecular FormulaC24H47N2NaO4
Molecular Weight450.64 g/mol
Exact Mass450.34
IUPAC Namesodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-].[Na+]
InChIInChI=1S/C24H48N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h27H,2-22H2,1H3,(H,25,28)(H,29,30);/q;+1/p-1
InChIKeyZKBGPOVFSMIXBF-UHFFFAOYSA-M
XLogP0.41
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.64
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-[2-hydroxyethyl-[2-(undecanoylamino)ethyl]amino]acetate
CID 141154076
sodium 2-[2-hydroxyethyl-[2-(octadec-9-enoylamino)ethyl]amino]acetate
CID 57356269
sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
N-[2-[bis(2-hydroxyethyl)amino]ethyl]henicosanamide
CID 102116577
sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173090653
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 23173744
(E)-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]octadec-9-enamide
CID 6437128
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide
CID 155083884
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908
sodium 2-[2-acetamidoethyl(2-hydroxyethyl)amino]acetate
CID 158747467

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate?
The IUPAC name of sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate (CID 23668680) is sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate.
What is the SMILES notation for sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate?
The canonical SMILES for sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate is CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate?
The InChIKey is ZKBGPOVFSMIXBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H48N2O4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(28)25-18-19-26(20-21-27)22-24(29)30;/h27H,2-22H2,1H3,(H,25,28)(H,29,30);/q;+1/p-1.
What are the key properties of sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate?
sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate has a molecular weight of 450.64 g/mol, XLogP of 0.41, 23 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-hydroxyethyl-[2-(octadecanoylamino)ethyl]amino]acetate is sourced from PubChem (CID 23668680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).