2-(dibenzylamino)oxyethylphosphonic acid

C16H20NO4P — CID 88620151

IUPAC2-(dibenzylamino)oxyethylphosphonic acid
SMILESO=P(O)(O)CCON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H20NO4P/c18-22(19,20)12-11-21-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20)
InChIKeyMKVNKIJYKMAOKP-UHFFFAOYSA-N
MW321.31 g/mol
LogP2.80
Rot. Bonds8

About 2-(dibenzylamino)oxyethylphosphonic acid

2-(dibenzylamino)oxyethylphosphonic acid (PubChem CID 88620151) has the molecular formula C16H20NO4P and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-(dibenzylamino)oxyethylphosphonic acid.

Molecular Properties

Compound Name2-(dibenzylamino)oxyethylphosphonic acid
PubChem CID88620151
Molecular FormulaC16H20NO4P
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name2-(dibenzylamino)oxyethylphosphonic acid
SMILESO=P(O)(O)CCON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H20NO4P/c18-22(19,20)12-11-21-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20)
InChIKeyMKVNKIJYKMAOKP-UHFFFAOYSA-N
XLogP2.80
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzylbenzene;phosphoric acid
CID 161249494
[1,7-bis[(dibenzylamino)oxy]-4,4-bis[3-(dibenzylamino)oxy-1-formyloxypropyl]-5-formyloxyheptan-3-yl] formate
CID 54243418
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
(dibenzylamino) phenyl phosphate
CID 23023265
[(2S)-1-oxo-1-(2-phosphonoethylamino)propan-2-yl]-phenylmethoxycarbamic acid
CID 91595643
benzyl(bromo)carbamic acid
CID 87217964
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
CID 174826908
12-phenoxydodecylphosphonic acid
CID 102430070
N,N-dibenzyl-cyanophosphonamidic acid
CID 70187958
2-[benzyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropyl]amino]ethylphosphonic acid
CID 101379686
3-[benzyl(ethoxy)amino]propanoic acid
CID 150666636

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)oxyethylphosphonic acid?
The IUPAC name of 2-(dibenzylamino)oxyethylphosphonic acid (CID 88620151) is 2-(dibenzylamino)oxyethylphosphonic acid.
What is the SMILES notation for 2-(dibenzylamino)oxyethylphosphonic acid?
The canonical SMILES for 2-(dibenzylamino)oxyethylphosphonic acid is O=P(O)(O)CCON(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)oxyethylphosphonic acid?
The InChIKey is MKVNKIJYKMAOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO4P/c18-22(19,20)12-11-21-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H2,18,19,20).
What are the key properties of 2-(dibenzylamino)oxyethylphosphonic acid?
2-(dibenzylamino)oxyethylphosphonic acid has a molecular weight of 321.31 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)oxyethylphosphonic acid is sourced from PubChem (CID 88620151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).