sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride

C16H34NNaO4 — CID 175434885

IUPACsodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride
SMILESCCCCCCCCCCCC(=O)ON(CCO)CCO.[H-].[Na+]
InChIInChI=1S/C16H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-16(20)21-17(12-14-18)13-15-19;;/h18-19H,2-15H2,1H3;;/q;+1;-1
InChIKeyFSEQJCYJIAOAPC-UHFFFAOYSA-N
MW327.44 g/mol
LogP-0.23
Rot. Bonds15

About sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride

sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride (PubChem CID 175434885) has the molecular formula C16H34NNaO4 and a molecular weight of 327.44 g/mol. Its IUPAC name is sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride.

Molecular Properties

Compound Namesodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride
PubChem CID175434885
Molecular FormulaC16H34NNaO4
Molecular Weight327.44 g/mol
Exact Mass327.24
IUPAC Namesodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride
SMILESCCCCCCCCCCCC(=O)ON(CCO)CCO.[H-].[Na+]
InChIInChI=1S/C16H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-16(20)21-17(12-14-18)13-15-19;;/h18-19H,2-15H2,1H3;;/q;+1;-1
InChIKeyFSEQJCYJIAOAPC-UHFFFAOYSA-N
XLogP-0.23
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[2-hydroxyethyl(methyl)amino] octanoate
CID 175189868
(dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate
CID 167224227
CID 100972273
CID 100972273
[bis(2-hydroxyethyl)amino] (Z,12R)-12-hydroxyoctadec-9-enoate
CID 156538832
(dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-(dimethylamino)ethyl]amino]decanoate
CID 171586184
(dioctylamino) 9-ethylundecanoate
CID 178167166
dimethylamino pentadecanoate
CID 57147620
sodium;hydride;octanoyl octadecanoate
CID 173299765
sodium;hydride;2-hydroxyethyl dodecanoate
CID 173434676
1-[bis(2-hydroxyethyl)amino]oxy-4-dodecanoyloxy-1,4-dioxobutane-2-sulfonic acid
CID 175000089
[bis(2-hydroxyethyl)amino] undec-10-enoate
CID 175063036
sodium;hydride;hydroxymethyl tridecanoate
CID 175516324

Frequently Asked Questions

What is the IUPAC name of sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride?
The IUPAC name of sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride (CID 175434885) is sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride.
What is the SMILES notation for sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride?
The canonical SMILES for sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride is CCCCCCCCCCCC(=O)ON(CCO)CCO.[H-].[Na+].
What is the InChIKey of sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride?
The InChIKey is FSEQJCYJIAOAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-16(20)21-17(12-14-18)13-15-19;;/h18-19H,2-15H2,1H3;;/q;+1;-1.
What are the key properties of sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride?
sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride has a molecular weight of 327.44 g/mol, XLogP of -0.23, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[bis(2-hydroxyethyl)amino] dodecanoate;hydride is sourced from PubChem (CID 175434885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).