N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid

C28H29NO6P2 — CID 10098710

IUPACN-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid
SMILESO=P(O)(OCc1ccccc1)N(Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C28H29NO6P2/c30-36(31,33-22-26-15-7-2-8-16-26)29(21-25-13-5-1-6-14-25)37(32,34-23-27-17-9-3-10-18-27)35-24-28-19-11-4-12-20-28/h1-20H,21-24H2,(H,30,31)
InChIKeyKJVJVJOBARPXGF-UHFFFAOYSA-N
MW537.49 g/mol
LogP7.35
Rot. Bonds13

About N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid

N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid (PubChem CID 10098710) has the molecular formula C28H29NO6P2 and a molecular weight of 537.49 g/mol. Its IUPAC name is N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid.

Molecular Properties

Compound NameN-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid
PubChem CID10098710
Molecular FormulaC28H29NO6P2
Molecular Weight537.49 g/mol
Exact Mass537.15
IUPAC NameN-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid
SMILESO=P(O)(OCc1ccccc1)N(Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C28H29NO6P2/c30-36(31,33-22-26-15-7-2-8-16-26)29(21-25-13-5-1-6-14-25)37(32,34-23-27-17-9-3-10-18-27)35-24-28-19-11-4-12-20-28/h1-20H,21-24H2,(H,30,31)
InChIKeyKJVJVJOBARPXGF-UHFFFAOYSA-N
XLogP7.35
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.49
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tetrabenzyl pyrophosphate
CID 563183
Dibenzyl benzylphosphoramidate
CID 275759
Barium dibenzylphosphate
CID 201600
Tetrabenzyl methylenebis(phosphonate)
CID 10864446
Dibenzyl P-(N-Benzyl-N-hydroxyaminomethyl)phosphonate
CID 19883771
1-phenyl-N-[phenyl(phenylmethoxy)phosphoryl]methanamine
CID 143869057
Dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate
CID 10053627
N-diethoxyphosphoryl-1-phenyl-N-phenylmethoxymethanamine
CID 85923156
(E)-N,N'-dibenzyl-N,N'-bis[methyl(1-phenylethenoxy)phosphoryl]but-2-ene-1,4-diamine
CID 102147222
N-benzyl-N-bis(phenylmethoxy)phosphorylethanamine
CID 134907355
N-benzyl-1-bis(phenylmethoxy)phosphoryl-1-phenylmethanamine
CID 135004441
(2-Azido-1-phenylethyl) dibenzyl phosphate
CID 138968880

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid?
The IUPAC name of N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid (CID 10098710) is N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid.
What is the SMILES notation for N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid?
The canonical SMILES for N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid is O=P(O)(OCc1ccccc1)N(Cc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid?
The InChIKey is KJVJVJOBARPXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6P2/c30-36(31,33-22-26-15-7-2-8-16-26)29(21-25-13-5-1-6-14-25)37(32,34-23-27-17-9-3-10-18-27)35-24-28-19-11-4-12-20-28/h1-20H,21-24H2,(H,30,31).
What are the key properties of N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid?
N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid has a molecular weight of 537.49 g/mol, XLogP of 7.35, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-bis(phenylmethoxy)phosphoryl-phenylmethoxyphosphonamidic acid is sourced from PubChem (CID 10098710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).