methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate

C8H18NO5P — CID 12711206

IUPACmethyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate
SMILESCCOP(=O)(CN(C)C(=O)OC)OCC
InChIInChI=1S/C8H18NO5P/c1-5-13-15(11,14-6-2)7-9(3)8(10)12-4/h5-7H2,1-4H3
InChIKeyHGVPHSXGNLACQT-UHFFFAOYSA-N
MW239.21 g/mol
LogP1.91
Rot. Bonds6

About methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate

methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate (PubChem CID 12711206) has the molecular formula C8H18NO5P and a molecular weight of 239.21 g/mol. Its IUPAC name is methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate
PubChem CID12711206
Molecular FormulaC8H18NO5P
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Namemethyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate
SMILESCCOP(=O)(CN(C)C(=O)OC)OCC
InChIInChI=1S/C8H18NO5P/c1-5-13-15(11,14-6-2)7-9(3)8(10)12-4/h5-7H2,1-4H3
InChIKeyHGVPHSXGNLACQT-UHFFFAOYSA-N
XLogP1.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 51.91
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

3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
CID 10781532
N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide
CID 2872148
1-[ethoxy(methoxymethyl)phosphoryl]oxyethane
CID 11658394
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
ethyl 2-diethoxyphosphorylacetate
CID 10911236
methyl N-(2-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 79387762
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
2-diethoxyphosphorylethanesulfonic acid
CID 14904485
N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide
CID 2252018
sodium diethoxyphosphorylmethanol
CID 22274944
3-[ethoxy(methoxy)phosphoryl]-2-methylprop-1-ene
CID 142703300

Frequently Asked Questions

What is the IUPAC name of methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate?
The IUPAC name of methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate (CID 12711206) is methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate is CCOP(=O)(CN(C)C(=O)OC)OCC.
What is the InChIKey of methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate?
The InChIKey is HGVPHSXGNLACQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO5P/c1-5-13-15(11,14-6-2)7-9(3)8(10)12-4/h5-7H2,1-4H3.
What are the key properties of methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate?
methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate has a molecular weight of 239.21 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate is sourced from PubChem (CID 12711206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).