2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate

C13H28NO9P — CID 175835823

IUPAC2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
SMILESCCOCCOCCOCCOCCC(=O)NCCOP(=O)(O)O
InChIInChI=1S/C13H28NO9P/c1-2-19-7-8-21-11-12-22-10-9-20-5-3-13(15)14-4-6-23-24(16,17)18/h2-12H2,1H3,(H,14,15)(H2,16,17,18)
InChIKeyYRBYDXFZMIOSSB-UHFFFAOYSA-N
MW373.34 g/mol
LogP-0.31
Rot. Bonds17

About 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate

2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate (PubChem CID 175835823) has the molecular formula C13H28NO9P and a molecular weight of 373.34 g/mol. Its IUPAC name is 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
PubChem CID175835823
Molecular FormulaC13H28NO9P
Molecular Weight373.34 g/mol
Exact Mass373.15
IUPAC Name2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate
SMILESCCOCCOCCOCCOCCC(=O)NCCOP(=O)(O)O
InChIInChI=1S/C13H28NO9P/c1-2-19-7-8-21-11-12-22-10-9-20-5-3-13(15)14-4-6-23-24(16,17)18/h2-12H2,1H3,(H,14,15)(H2,16,17,18)
InChIKeyYRBYDXFZMIOSSB-UHFFFAOYSA-N
XLogP-0.31
TPSA132.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
2-(4-hydroxybutanoylamino)ethyl dihydrogen phosphate
CID 87671485
ethane;3-(4-ethoxybutoxy)-N-propylpropanamide;molecular hydrogen
CID 142390095
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-ethoxypropanamide
CID 140926568
ethane;N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-3-[2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]-3-oxopropoxy]-3-[3-oxo-3-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]propoxy]propoxy]propanamide
CID 177221839
3-ethoxy-N-ethylpropanamide
CID 58030283
CID 169190202
CID 169190202

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate?
The IUPAC name of 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate (CID 175835823) is 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate is CCOCCOCCOCCOCCC(=O)NCCOP(=O)(O)O.
What is the InChIKey of 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate?
The InChIKey is YRBYDXFZMIOSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28NO9P/c1-2-19-7-8-21-11-12-22-10-9-20-5-3-13(15)14-4-6-23-24(16,17)18/h2-12H2,1H3,(H,14,15)(H2,16,17,18).
What are the key properties of 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate?
2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate has a molecular weight of 373.34 g/mol, XLogP of -0.31, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoylamino]ethyl dihydrogen phosphate is sourced from PubChem (CID 175835823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).