sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate

C25H50NNaO7 — CID 175725019

IUPACsodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOCCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C25H51NO7.Na/c1-2-3-4-5-6-7-8-9-10-11-15-29-17-19-31-21-23-33-24-22-32-20-18-30-16-14-26-13-12-25(27)28;/h26H,2-24H2,1H3,(H,27,28);/q;+1/p-1
InChIKeyCXAPXYPWGZHWOS-UHFFFAOYSA-M
MW499.67 g/mol
LogP-0.28
Rot. Bonds29

About sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate

sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate (PubChem CID 175725019) has the molecular formula C25H50NNaO7 and a molecular weight of 499.67 g/mol. Its IUPAC name is sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate.

Molecular Properties

Compound Namesodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate
PubChem CID175725019
Molecular FormulaC25H50NNaO7
Molecular Weight499.67 g/mol
Exact Mass499.35
IUPAC Namesodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOCCNCCC(=O)[O-].[Na+]
InChIInChI=1S/C25H51NO7.Na/c1-2-3-4-5-6-7-8-9-10-11-15-29-17-19-31-21-23-33-24-22-32-20-18-30-16-14-26-13-12-25(27)28;/h26H,2-24H2,1H3,(H,27,28);/q;+1/p-1
InChIKeyCXAPXYPWGZHWOS-UHFFFAOYSA-M
XLogP-0.28
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds29
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.67
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
sodium;1-decoxydecane;acetate
CID 154928791
disodium;1-octadecoxyoctadecane;carbonate
CID 175470483
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
sodium 2-(2-octadecoxyethoxy)acetate
CID 23688971
sodium 2-(2-hexadecoxyethoxy)acetate
CID 23688956
sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 101104500
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
11-butoxyundecanoate
CID 7614560
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
N-(2-pentoxyethyl)butan-1-amine
CID 54396114

Frequently Asked Questions

What is the IUPAC name of sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate?
The IUPAC name of sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate (CID 175725019) is sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate.
What is the SMILES notation for sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate?
The canonical SMILES for sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate is CCCCCCCCCCCCOCCOCCOCCOCCOCCNCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate?
The InChIKey is CXAPXYPWGZHWOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H51NO7.Na/c1-2-3-4-5-6-7-8-9-10-11-15-29-17-19-31-21-23-33-24-22-32-20-18-30-16-14-26-13-12-25(27)28;/h26H,2-24H2,1H3,(H,27,28);/q;+1/p-1.
What are the key properties of sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate?
sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate has a molecular weight of 499.67 g/mol, XLogP of -0.28, 29 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propanoate is sourced from PubChem (CID 175725019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).