2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate

C18H37NO7S — CID 165390328

IUPAC2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCCCC(=O)NCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C18H37NO7S/c1-2-3-4-5-6-7-8-9-10-11-18(20)19-12-13-24-14-15-25-16-17-26-27(21,22)23/h2-17H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyQXTZWUOZUDUMQU-UHFFFAOYSA-N
MW411.56 g/mol
LogP2.88
Rot. Bonds20

About 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate

2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate (PubChem CID 165390328) has the molecular formula C18H37NO7S and a molecular weight of 411.56 g/mol. Its IUPAC name is 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate.

Molecular Properties

Compound Name2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate
PubChem CID165390328
Molecular FormulaC18H37NO7S
Molecular Weight411.56 g/mol
Exact Mass411.23
IUPAC Name2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate
SMILESCCCCCCCCCCCC(=O)NCCOCCOCCOS(=O)(=O)O
InChIInChI=1S/C18H37NO7S/c1-2-3-4-5-6-7-8-9-10-11-18(20)19-12-13-24-14-15-25-16-17-26-27(21,22)23/h2-17H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyQXTZWUOZUDUMQU-UHFFFAOYSA-N
XLogP2.88
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(decanoylamino)ethyl hydrogen sulfate
CID 13257981
CID 170842909
CID 170842909
[4-(decylamino)-4-oxobutyl] hydrogen sulfate
CID 10881849
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 170040570
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[2-(2-aminooxyethoxy)ethyl]octadecanamide
CID 87339139
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
sodium 2-[2-[3-(dodecanoylamino)propoxy]ethoxy]ethyl sulfate
CID 165390323
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate?
The IUPAC name of 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate (CID 165390328) is 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate.
What is the SMILES notation for 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate?
The canonical SMILES for 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate is CCCCCCCCCCCC(=O)NCCOCCOCCOS(=O)(=O)O.
What is the InChIKey of 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate?
The InChIKey is QXTZWUOZUDUMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO7S/c1-2-3-4-5-6-7-8-9-10-11-18(20)19-12-13-24-14-15-25-16-17-26-27(21,22)23/h2-17H2,1H3,(H,19,20)(H,21,22,23).
What are the key properties of 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate?
2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate has a molecular weight of 411.56 g/mol, XLogP of 2.88, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dodecanoylamino)ethoxy]ethoxy]ethyl hydrogen sulfate is sourced from PubChem (CID 165390328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).