2-acetamidoethyl octyl hydrogen phosphate

C12H26NO5P — CID 102390568

IUPAC2-acetamidoethyl octyl hydrogen phosphate
SMILESCCCCCCCCOP(=O)(O)OCCNC(C)=O
InChIInChI=1S/C12H26NO5P/c1-3-4-5-6-7-8-10-17-19(15,16)18-11-9-13-12(2)14/h3-11H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYFWMZRICZQRZTE-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.62
Rot. Bonds12

About 2-acetamidoethyl octyl hydrogen phosphate

2-acetamidoethyl octyl hydrogen phosphate (PubChem CID 102390568) has the molecular formula C12H26NO5P and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-acetamidoethyl octyl hydrogen phosphate.

Molecular Properties

Compound Name2-acetamidoethyl octyl hydrogen phosphate
PubChem CID102390568
Molecular FormulaC12H26NO5P
Molecular Weight295.32 g/mol
Exact Mass295.15
IUPAC Name2-acetamidoethyl octyl hydrogen phosphate
SMILESCCCCCCCCOP(=O)(O)OCCNC(C)=O
InChIInChI=1S/C12H26NO5P/c1-3-4-5-6-7-8-10-17-19(15,16)18-11-9-13-12(2)14/h3-11H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYFWMZRICZQRZTE-UHFFFAOYSA-N
XLogP2.62
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;dioctyl hydrogen phosphate
CID 175176967
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
hexadecyl hexyl hydrogen phosphate
CID 15132676
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
dioctyl hydrogen phosphate;zinc
CID 20743274
disodium;didodecyl hydrogen phosphate;hydride
CID 173063019
[3-[2-acetamidoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] tetradecanoate
CID 165206415
dioctyl hydrogen phosphate;2-(2-hydroxyethylamino)ethanol
CID 6453842

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl octyl hydrogen phosphate?
The IUPAC name of 2-acetamidoethyl octyl hydrogen phosphate (CID 102390568) is 2-acetamidoethyl octyl hydrogen phosphate.
What is the SMILES notation for 2-acetamidoethyl octyl hydrogen phosphate?
The canonical SMILES for 2-acetamidoethyl octyl hydrogen phosphate is CCCCCCCCOP(=O)(O)OCCNC(C)=O.
What is the InChIKey of 2-acetamidoethyl octyl hydrogen phosphate?
The InChIKey is YFWMZRICZQRZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26NO5P/c1-3-4-5-6-7-8-10-17-19(15,16)18-11-9-13-12(2)14/h3-11H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-acetamidoethyl octyl hydrogen phosphate?
2-acetamidoethyl octyl hydrogen phosphate has a molecular weight of 295.32 g/mol, XLogP of 2.62, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl octyl hydrogen phosphate is sourced from PubChem (CID 102390568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).