methyl N-dimethoxyphosphoryl-N-phenylcarbamate

C10H14NO5P — CID 23268086

IUPACmethyl N-dimethoxyphosphoryl-N-phenylcarbamate
SMILESCOC(=O)N(c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C10H14NO5P/c1-14-10(12)11(17(13,15-2)16-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyUTXBPSPNRUIRLX-UHFFFAOYSA-N
MW259.20 g/mol
LogP2.66
Rot. Bonds4

About methyl N-dimethoxyphosphoryl-N-phenylcarbamate

methyl N-dimethoxyphosphoryl-N-phenylcarbamate (PubChem CID 23268086) has the molecular formula C10H14NO5P and a molecular weight of 259.20 g/mol. Its IUPAC name is methyl N-dimethoxyphosphoryl-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-dimethoxyphosphoryl-N-phenylcarbamate
PubChem CID23268086
Molecular FormulaC10H14NO5P
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Namemethyl N-dimethoxyphosphoryl-N-phenylcarbamate
SMILESCOC(=O)N(c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C10H14NO5P/c1-14-10(12)11(17(13,15-2)16-3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyUTXBPSPNRUIRLX-UHFFFAOYSA-N
XLogP2.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-dimethoxyphosphoryl-N-phenylcarbamate?
The IUPAC name of methyl N-dimethoxyphosphoryl-N-phenylcarbamate (CID 23268086) is methyl N-dimethoxyphosphoryl-N-phenylcarbamate.
What is the SMILES notation for methyl N-dimethoxyphosphoryl-N-phenylcarbamate?
The canonical SMILES for methyl N-dimethoxyphosphoryl-N-phenylcarbamate is COC(=O)N(c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of methyl N-dimethoxyphosphoryl-N-phenylcarbamate?
The InChIKey is UTXBPSPNRUIRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO5P/c1-14-10(12)11(17(13,15-2)16-3)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of methyl N-dimethoxyphosphoryl-N-phenylcarbamate?
methyl N-dimethoxyphosphoryl-N-phenylcarbamate has a molecular weight of 259.20 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-dimethoxyphosphoryl-N-phenylcarbamate is sourced from PubChem (CID 23268086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).