N-(2-ethoxyethyl)-methoxyphosphonamidic acid

C5H14NO4P — CID 89121913

IUPACN-(2-ethoxyethyl)-methoxyphosphonamidic acid
SMILESCCOCCNP(=O)(O)OC
InChIInChI=1S/C5H14NO4P/c1-3-10-5-4-6-11(7,8)9-2/h3-5H2,1-2H3,(H2,6,7,8)
InChIKeyOHXWOSDNLFFHLE-UHFFFAOYSA-N
MW183.14 g/mol
LogP0.36
Rot. Bonds6

About N-(2-ethoxyethyl)-methoxyphosphonamidic acid

N-(2-ethoxyethyl)-methoxyphosphonamidic acid (PubChem CID 89121913) has the molecular formula C5H14NO4P and a molecular weight of 183.14 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-methoxyphosphonamidic acid.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-methoxyphosphonamidic acid
PubChem CID89121913
Molecular FormulaC5H14NO4P
Molecular Weight183.14 g/mol
Exact Mass183.07
IUPAC NameN-(2-ethoxyethyl)-methoxyphosphonamidic acid
SMILESCCOCCNP(=O)(O)OC
InChIInChI=1S/C5H14NO4P/c1-3-10-5-4-6-11(7,8)9-2/h3-5H2,1-2H3,(H2,6,7,8)
InChIKeyOHXWOSDNLFFHLE-UHFFFAOYSA-N
XLogP0.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(3-ethoxypropylamino)ethoxy]ethyl-methoxyphosphinic acid
CID 155661196
N-[2-(2-ethoxyethoxy)ethyl]-2-methoxyethanamine
CID 62566507
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
azane;ethoxyethane;phosphoric acid;propan-2-ol
CID 174578801
carbonic acid;1-(2-ethoxyethoxy)-2-methoxyethane
CID 87519570
N-(2-ethoxyethyl)propan-1-amine;methane
CID 157152444
ethyl 3-(2-ethoxyethylamino)propanoate
CID 43591020
1-chloro-2-ethoxyethane;phosphono dihydrogen phosphate
CID 175312423
9-ethoxynonylphosphonic acid
CID 102391475
ethoxyethane;methyl carbamate
CID 18755981
ethoxyethane;methyl(methylsulfonyl)phosphinic acid
CID 87983558
N-[ethoxy(propylamino)phosphoryl]propan-1-amine
CID 13438201

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-methoxyphosphonamidic acid?
The IUPAC name of N-(2-ethoxyethyl)-methoxyphosphonamidic acid (CID 89121913) is N-(2-ethoxyethyl)-methoxyphosphonamidic acid.
What is the SMILES notation for N-(2-ethoxyethyl)-methoxyphosphonamidic acid?
The canonical SMILES for N-(2-ethoxyethyl)-methoxyphosphonamidic acid is CCOCCNP(=O)(O)OC.
What is the InChIKey of N-(2-ethoxyethyl)-methoxyphosphonamidic acid?
The InChIKey is OHXWOSDNLFFHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO4P/c1-3-10-5-4-6-11(7,8)9-2/h3-5H2,1-2H3,(H2,6,7,8).
What are the key properties of N-(2-ethoxyethyl)-methoxyphosphonamidic acid?
N-(2-ethoxyethyl)-methoxyphosphonamidic acid has a molecular weight of 183.14 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-methoxyphosphonamidic acid is sourced from PubChem (CID 89121913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).