sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride

C18H37N2NaO4 — CID 174760447

IUPACsodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride
SMILESCCCCCCCCCCCC(=O)NCCN(CC(=O)O)OCC.[H-].[Na+]
InChIInChI=1S/C18H36N2O4.Na.H/c1-3-5-6-7-8-9-10-11-12-13-17(21)19-14-15-20(24-4-2)16-18(22)23;;/h3-16H2,1-2H3,(H,19,21)(H,22,23);;/q;+1;-1
InChIKeyFPHQULLLUTXPTR-UHFFFAOYSA-N
MW368.49 g/mol
LogP0.48
Rot. Bonds17

About sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride

sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride (PubChem CID 174760447) has the molecular formula C18H37N2NaO4 and a molecular weight of 368.49 g/mol. Its IUPAC name is sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride
PubChem CID174760447
Molecular FormulaC18H37N2NaO4
Molecular Weight368.49 g/mol
Exact Mass368.27
IUPAC Namesodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride
SMILESCCCCCCCCCCCC(=O)NCCN(CC(=O)O)OCC.[H-].[Na+]
InChIInChI=1S/C18H36N2O4.Na.H/c1-3-5-6-7-8-9-10-11-12-13-17(21)19-14-15-20(24-4-2)16-18(22)23;;/h3-16H2,1-2H3,(H,19,21)(H,22,23);;/q;+1;-1
InChIKeyFPHQULLLUTXPTR-UHFFFAOYSA-N
XLogP0.48
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173090653
sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
2-[methyl-[3-(octadecanoylamino)propyl]amino]acetic acid
CID 154414053
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 23173744
sodium;hydride;N-propyldodecanamide
CID 172999662
acetic acid;N-[2-[bis[2-(octadecanoylamino)ethyl]carbamoyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide
CID 154734795
2-[2-(carboxymethoxy)ethyl-[2-(tetradecanoylamino)ethyl]amino]acetic acid
CID 76965788
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
disodium;3-[2-(2-carboxyethoxy)ethyl-[2-(octanoylamino)ethyl]amino]propanoic acid;hydride
CID 174999190
3-(tetradecanoylamino)propanoic acid
CID 3662949
acetic acid;N-octylhexacosanamide
CID 175173130
3-(docosanoylamino)propanoic acid
CID 45357432

Frequently Asked Questions

What is the IUPAC name of sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride?
The IUPAC name of sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride (CID 174760447) is sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride.
What is the SMILES notation for sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride?
The canonical SMILES for sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride is CCCCCCCCCCCC(=O)NCCN(CC(=O)O)OCC.[H-].[Na+].
What is the InChIKey of sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride?
The InChIKey is FPHQULLLUTXPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4.Na.H/c1-3-5-6-7-8-9-10-11-12-13-17(21)19-14-15-20(24-4-2)16-18(22)23;;/h3-16H2,1-2H3,(H,19,21)(H,22,23);;/q;+1;-1.
What are the key properties of sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride?
sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride has a molecular weight of 368.49 g/mol, XLogP of 0.48, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[2-(dodecanoylamino)ethyl-ethoxyamino]acetic acid;hydride is sourced from PubChem (CID 174760447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).