ethoxy-N,N-diethylphosphonamidic acid

C6H16NO3P — CID 15083623

IUPACethoxy-N,N-diethylphosphonamidic acid
SMILESCCOP(=O)(O)N(CC)CC
InChIInChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9)
InChIKeyDUNFIZRDIMDMIH-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.47
Rot. Bonds5

About ethoxy-N,N-diethylphosphonamidic acid

ethoxy-N,N-diethylphosphonamidic acid (PubChem CID 15083623) has the molecular formula C6H16NO3P and a molecular weight of 181.17 g/mol. Its IUPAC name is ethoxy-N,N-diethylphosphonamidic acid.

Molecular Properties

Compound Nameethoxy-N,N-diethylphosphonamidic acid
PubChem CID15083623
Molecular FormulaC6H16NO3P
Molecular Weight181.17 g/mol
Exact Mass181.09
IUPAC Nameethoxy-N,N-diethylphosphonamidic acid
SMILESCCOP(=O)(O)N(CC)CC
InChIInChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9)
InChIKeyDUNFIZRDIMDMIH-UHFFFAOYSA-N
XLogP1.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-N,N-diethylphosphonamidic acid?
The IUPAC name of ethoxy-N,N-diethylphosphonamidic acid (CID 15083623) is ethoxy-N,N-diethylphosphonamidic acid.
What is the SMILES notation for ethoxy-N,N-diethylphosphonamidic acid?
The canonical SMILES for ethoxy-N,N-diethylphosphonamidic acid is CCOP(=O)(O)N(CC)CC.
What is the InChIKey of ethoxy-N,N-diethylphosphonamidic acid?
The InChIKey is DUNFIZRDIMDMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16NO3P/c1-4-7(5-2)11(8,9)10-6-3/h4-6H2,1-3H3,(H,8,9).
What are the key properties of ethoxy-N,N-diethylphosphonamidic acid?
ethoxy-N,N-diethylphosphonamidic acid has a molecular weight of 181.17 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-N,N-diethylphosphonamidic acid is sourced from PubChem (CID 15083623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).