2-acetamidoethyl propyl phosphate

C7H15NO5P- — CID 23558663

IUPAC2-acetamidoethyl propyl phosphate
SMILESCCCOP(=O)([O-])OCCNC(C)=O
InChIInChI=1S/C7H16NO5P/c1-3-5-12-14(10,11)13-6-4-8-7(2)9/h3-6H2,1-2H3,(H,8,9)(H,10,11)/p-1
InChIKeyYJDBTWGILXEPAO-UHFFFAOYSA-M
MW224.17 g/mol
LogP0.03
Rot. Bonds7

About 2-acetamidoethyl propyl phosphate

2-acetamidoethyl propyl phosphate (PubChem CID 23558663) has the molecular formula C7H15NO5P- and a molecular weight of 224.17 g/mol. Its IUPAC name is 2-acetamidoethyl propyl phosphate.

Molecular Properties

Compound Name2-acetamidoethyl propyl phosphate
PubChem CID23558663
Molecular FormulaC7H15NO5P-
Molecular Weight224.17 g/mol
Exact Mass224.07
IUPAC Name2-acetamidoethyl propyl phosphate
SMILESCCCOP(=O)([O-])OCCNC(C)=O
InChIInChI=1S/C7H16NO5P/c1-3-5-12-14(10,11)13-6-4-8-7(2)9/h3-6H2,1-2H3,(H,8,9)(H,10,11)/p-1
InChIKeyYJDBTWGILXEPAO-UHFFFAOYSA-M
XLogP0.03
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-acetamidoethyl octyl hydrogen phosphate
CID 102390568
sodium hydroxy propyl phosphate
CID 172830425
butyl propyl phosphate;nickel
CID 88805143
2-azaniumylethyl 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]ethyl phosphate
CID 162391206
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-acetamidoethyl 7-ethylpentadeca-7,8,9,10,11,12,13,14-octaen-1,3,5-triynyl phosphate;methane
CID 160935239
dipropyl phosphate;methyl 3,3,3-trifluoro-2-hydroxypropanoate
CID 21154311
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115
dibutyl phosphate;tetramethylphosphanium
CID 87474476
disodium;2-(hexadecanoylamino)ethyl phosphate
CID 171618393
2,3-dihydroxypropyl 2-[[(E)-octadec-9-enoyl]amino]ethyl phosphate
CID 171042162
[(2R)-2,3-dihydroxypropyl] 2-[[(Z)-octadec-9-enoyl]amino]ethyl phosphate
CID 91666406

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl propyl phosphate?
The IUPAC name of 2-acetamidoethyl propyl phosphate (CID 23558663) is 2-acetamidoethyl propyl phosphate.
What is the SMILES notation for 2-acetamidoethyl propyl phosphate?
The canonical SMILES for 2-acetamidoethyl propyl phosphate is CCCOP(=O)([O-])OCCNC(C)=O.
What is the InChIKey of 2-acetamidoethyl propyl phosphate?
The InChIKey is YJDBTWGILXEPAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO5P/c1-3-5-12-14(10,11)13-6-4-8-7(2)9/h3-6H2,1-2H3,(H,8,9)(H,10,11)/p-1.
What are the key properties of 2-acetamidoethyl propyl phosphate?
2-acetamidoethyl propyl phosphate has a molecular weight of 224.17 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl propyl phosphate is sourced from PubChem (CID 23558663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).