ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate

C10H22NO6P — CID 71365690

IUPACethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate
SMILESCCOC(=O)NCOCCP(=O)(OCC)OCC
InChIInChI=1S/C10H22NO6P/c1-4-15-10(12)11-9-14-7-8-18(13,16-5-2)17-6-3/h4-9H2,1-3H3,(H,11,12)
InChIKeyKUJVNGJFZLBVEY-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.97
Rot. Bonds10

About ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate

ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate (PubChem CID 71365690) has the molecular formula C10H22NO6P and a molecular weight of 283.26 g/mol. Its IUPAC name is ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate
PubChem CID71365690
Molecular FormulaC10H22NO6P
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC Nameethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate
SMILESCCOC(=O)NCOCCP(=O)(OCC)OCC
InChIInChI=1S/C10H22NO6P/c1-4-15-10(12)11-9-14-7-8-18(13,16-5-2)17-6-3/h4-9H2,1-3H3,(H,11,12)
InChIKeyKUJVNGJFZLBVEY-UHFFFAOYSA-N
XLogP1.97
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(carbamoyloxymethyl)carbamate
CID 173418531
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 138625033
diethyl 2-(2-diethoxyphosphorylethyl)propanedioate
CID 174999001
ethyl N-[2-(2-methoxyethoxymethylcarbamoylamino)ethyl]carbamate
CID 108894606
1-(2-diethoxyphosphorylethoxy)-2-(2-iodoethoxy)ethane
CID 86667775
1-(2-diethoxyphosphorylethoxy)-2,2-dimethylpropane
CID 21027105
ethyl 3-(3-diethoxyphosphorylpropanoyloxy)propanoate
CID 131843980
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494
methyl N-[(ethoxycarbonylamino)methyl]carbamate
CID 18709961
1,5-bis(diethoxyphosphoryl)pentan-3-one
CID 12030147
4-(2-diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171
ethyl 5-diethoxyphosphorylpentanoate
CID 2773707

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate?
The IUPAC name of ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate (CID 71365690) is ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate.
What is the SMILES notation for ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate?
The canonical SMILES for ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate is CCOC(=O)NCOCCP(=O)(OCC)OCC.
What is the InChIKey of ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate?
The InChIKey is KUJVNGJFZLBVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO6P/c1-4-15-10(12)11-9-14-7-8-18(13,16-5-2)17-6-3/h4-9H2,1-3H3,(H,11,12).
What are the key properties of ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate?
ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate has a molecular weight of 283.26 g/mol, XLogP of 1.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-diethoxyphosphorylethoxymethyl)carbamate is sourced from PubChem (CID 71365690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).