4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione

C18H19N2O5P — CID 170912943

IUPAC4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione
SMILESCOP(=O)(OC)C1CC(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H19N2O5P/c1-24-26(23,25-2)16-13-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyGLKQHBQEDCQSEL-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.23
Rot. Bonds5

About 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione

4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione (PubChem CID 170912943) has the molecular formula C18H19N2O5P and a molecular weight of 374.33 g/mol. Its IUPAC name is 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione.

Molecular Properties

Compound Name4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione
PubChem CID170912943
Molecular FormulaC18H19N2O5P
Molecular Weight374.33 g/mol
Exact Mass374.10
IUPAC Name4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione
SMILESCOP(=O)(OC)C1CC(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C18H19N2O5P/c1-24-26(23,25-2)16-13-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
InChIKeyGLKQHBQEDCQSEL-UHFFFAOYSA-N
XLogP3.23
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1,2-diphenyldiazinane-3,6-dione
CID 117066425
3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione
CID 175507545
4-amino-1,2-diphenylpyrazolidine-3,5-dione
CID 162789664
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962
3-diphenoxyphosphoryl-1-(diphenoxyphosphorylmethyl)pyrrolidine-2,5-dione
CID 164746065
4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione
CID 12704414
1,2,4-triphenyl-5-sulfanylidenepyrazolidin-3-one
CID 3031315
CID 24844231
CID 24844231
1,4,5-triphenylpyrrolidin-2-one
CID 3541740
4-(1-methylsulfanylethyl)-1,2-diphenylpyrazolidine-3,5-dione
CID 21139704
1-hydroxy-3-phenoxypyrrolidine-2,5-dione
CID 149252640
1,4-diphenylpiperidine-2,6-dione
CID 2812798

Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione?
The IUPAC name of 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione (CID 170912943) is 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione.
What is the SMILES notation for 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione?
The canonical SMILES for 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione is COP(=O)(OC)C1CC(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione?
The InChIKey is GLKQHBQEDCQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N2O5P/c1-24-26(23,25-2)16-13-17(21)19(14-9-5-3-6-10-14)20(18(16)22)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3.
What are the key properties of 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione?
4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione has a molecular weight of 374.33 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione is sourced from PubChem (CID 170912943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).