N-diazo-(2,2-diphenylethoxy)phosphonamidic acid

C14H14N3O3P — CID 168877772

IUPACN-diazo-(2,2-diphenylethoxy)phosphonamidic acid
SMILES[N-]=[N+]=NP(=O)(O)OCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N3O3P/c15-16-17-21(18,19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,19)
InChIKeyIJHXQUDXHPPPAC-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.25
Rot. Bonds6

About N-diazo-(2,2-diphenylethoxy)phosphonamidic acid

N-diazo-(2,2-diphenylethoxy)phosphonamidic acid (PubChem CID 168877772) has the molecular formula C14H14N3O3P and a molecular weight of 303.26 g/mol. Its IUPAC name is N-diazo-(2,2-diphenylethoxy)phosphonamidic acid.

Molecular Properties

Compound NameN-diazo-(2,2-diphenylethoxy)phosphonamidic acid
PubChem CID168877772
Molecular FormulaC14H14N3O3P
Molecular Weight303.26 g/mol
Exact Mass303.08
IUPAC NameN-diazo-(2,2-diphenylethoxy)phosphonamidic acid
SMILES[N-]=[N+]=NP(=O)(O)OCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14N3O3P/c15-16-17-21(18,19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,19)
InChIKeyIJHXQUDXHPPPAC-UHFFFAOYSA-N
XLogP4.25
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-diazo-(2,2-diphenylethoxy)phosphonamidic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,6-diphenylhexyl dihydrogen phosphate
CID 139923067
2-(2,2-diphenylethoxy)-2-oxoacetic acid
CID 70576459
[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
azido(phenyl)methanol
CID 59611949
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
methyl 2-[[[azido(phenyl)methyl]-ethoxyphosphoryl]amino]propanoate
CID 11301815
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
6-[[6-[6-[2,2-diphenylethoxy(hydroxy)phosphoryl]oxyhexylcarbamoyl]pyridine-2-carbonyl]amino]hexyl 2,2-diphenylethyl hydrogen phosphate
CID 102255849
(1S,2S)-3-azido-1-diethoxyphosphoryl-2-[[(1R)-1-phenylethyl]amino]propan-1-ol
CID 102420550
diphenylmethanamine;phosphoric acid
CID 67153031
1-azidoethylbenzene;rutherfordium
CID 164682977
(S)-bis(2,2,2-trifluoroethoxy)phosphoryl-phenylmethanol
CID 102473558

Frequently Asked Questions

What is the IUPAC name of N-diazo-(2,2-diphenylethoxy)phosphonamidic acid?
The IUPAC name of N-diazo-(2,2-diphenylethoxy)phosphonamidic acid (CID 168877772) is N-diazo-(2,2-diphenylethoxy)phosphonamidic acid.
What is the SMILES notation for N-diazo-(2,2-diphenylethoxy)phosphonamidic acid?
The canonical SMILES for N-diazo-(2,2-diphenylethoxy)phosphonamidic acid is [N-]=[N+]=NP(=O)(O)OCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diazo-(2,2-diphenylethoxy)phosphonamidic acid?
The InChIKey is IJHXQUDXHPPPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N3O3P/c15-16-17-21(18,19)20-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,19).
What are the key properties of N-diazo-(2,2-diphenylethoxy)phosphonamidic acid?
N-diazo-(2,2-diphenylethoxy)phosphonamidic acid has a molecular weight of 303.26 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-diazo-(2,2-diphenylethoxy)phosphonamidic acid is sourced from PubChem (CID 168877772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).