sodium 2-[hexadecanoyl(methyl)amino]acetate

C19H36NNaO3 — CID 23681905

IUPACsodium 2-[hexadecanoyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C19H37NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(2)17-19(22)23;/h3-17H2,1-2H3,(H,22,23);/q;+1/p-1
InChIKeyAUHKUMFBHOJIMU-UHFFFAOYSA-M
MW349.49 g/mol
LogP0.68
Rot. Bonds16

About sodium 2-[hexadecanoyl(methyl)amino]acetate

sodium 2-[hexadecanoyl(methyl)amino]acetate (PubChem CID 23681905) has the molecular formula C19H36NNaO3 and a molecular weight of 349.49 g/mol. Its IUPAC name is sodium 2-[hexadecanoyl(methyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[hexadecanoyl(methyl)amino]acetate
PubChem CID23681905
Molecular FormulaC19H36NNaO3
Molecular Weight349.49 g/mol
Exact Mass349.26
IUPAC Namesodium 2-[hexadecanoyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C19H37NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(2)17-19(22)23;/h3-17H2,1-2H3,(H,22,23);/q;+1/p-1
InChIKeyAUHKUMFBHOJIMU-UHFFFAOYSA-M
XLogP0.68
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.49
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-[hexadecanoyl(methyl)amino]acetate?
The IUPAC name of sodium 2-[hexadecanoyl(methyl)amino]acetate (CID 23681905) is sodium 2-[hexadecanoyl(methyl)amino]acetate.
What is the SMILES notation for sodium 2-[hexadecanoyl(methyl)amino]acetate?
The canonical SMILES for sodium 2-[hexadecanoyl(methyl)amino]acetate is CCCCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[hexadecanoyl(methyl)amino]acetate?
The InChIKey is AUHKUMFBHOJIMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H37NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(2)17-19(22)23;/h3-17H2,1-2H3,(H,22,23);/q;+1/p-1.
What are the key properties of sodium 2-[hexadecanoyl(methyl)amino]acetate?
sodium 2-[hexadecanoyl(methyl)amino]acetate has a molecular weight of 349.49 g/mol, XLogP of 0.68, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[hexadecanoyl(methyl)amino]acetate is sourced from PubChem (CID 23681905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).