diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate

C18H22NO5P — CID 134865341

IUPACdiethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate
SMILESCCOP(=O)(OCC)O/C(=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO5P/c1-3-22-25(20,23-4-2)24-18(17-13-9-6-10-14-17)19-21-15-16-11-7-5-8-12-16/h5-14H,3-4,15H2,1-2H3/b19-18+
InChIKeyYISCRWYBXZXHAF-VHEBQXMUSA-N
MW363.35 g/mol
LogP4.76
Rot. Bonds9

About diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate

diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate (PubChem CID 134865341) has the molecular formula C18H22NO5P and a molecular weight of 363.35 g/mol. Its IUPAC name is diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate.

Molecular Properties

Compound Namediethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate
PubChem CID134865341
Molecular FormulaC18H22NO5P
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC Namediethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate
SMILESCCOP(=O)(OCC)O/C(=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO5P/c1-3-22-25(20,23-4-2)24-18(17-13-9-6-10-14-17)19-21-15-16-11-7-5-8-12-16/h5-14H,3-4,15H2,1-2H3/b19-18+
InChIKeyYISCRWYBXZXHAF-VHEBQXMUSA-N
XLogP4.76
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[ethoxy(phenylmethoxy)phosphoryl] prop-2-enoate
CID 174418871
diethyl 1-phenylprop-1-enyl phosphate
CID 71355749
benzyl ethyl methyl phosphate
CID 152677778
[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
benzyl 3-(diethoxyphosphorylmethyl)benzoate
CID 10926532
1-diethoxyphosphinothioyl-3-(C-methyl-N-phenylmethoxycarbonimidoyl)urea
CID 135448703
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
CID 102508862
2-diethoxyphosphorylprop-2-enoxymethylbenzene
CID 11129808
benzyl dihydrogen phosphate;ethoxyethane
CID 67119526
(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783

Frequently Asked Questions

What is the IUPAC name of diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate?
The IUPAC name of diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate (CID 134865341) is diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate.
What is the SMILES notation for diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate?
The canonical SMILES for diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate is CCOP(=O)(OCC)O/C(=N/OCc1ccccc1)c1ccccc1.
What is the InChIKey of diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate?
The InChIKey is YISCRWYBXZXHAF-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H22NO5P/c1-3-22-25(20,23-4-2)24-18(17-13-9-6-10-14-17)19-21-15-16-11-7-5-8-12-16/h5-14H,3-4,15H2,1-2H3/b19-18+.
What are the key properties of diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate?
diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate has a molecular weight of 363.35 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphoryl (E)-N-phenylmethoxybenzenecarboximidate is sourced from PubChem (CID 134865341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).