N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide

C6H13N2O5P — CID 54217472

IUPACN-[acetamidooxy(ethyl)phosphoryl]oxyacetamide
SMILESCCP(=O)(ONC(C)=O)ONC(C)=O
InChIInChI=1S/C6H13N2O5P/c1-4-14(11,12-7-5(2)9)13-8-6(3)10/h4H2,1-3H3,(H,7,9)(H,8,10)
InChIKeyQAFNYSFQGJRCFB-UHFFFAOYSA-N
MW224.15 g/mol
LogP0.33
Rot. Bonds5

About N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide

N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide (PubChem CID 54217472) has the molecular formula C6H13N2O5P and a molecular weight of 224.15 g/mol. Its IUPAC name is N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide.

Molecular Properties

Compound NameN-[acetamidooxy(ethyl)phosphoryl]oxyacetamide
PubChem CID54217472
Molecular FormulaC6H13N2O5P
Molecular Weight224.15 g/mol
Exact Mass224.06
IUPAC NameN-[acetamidooxy(ethyl)phosphoryl]oxyacetamide
SMILESCCP(=O)(ONC(C)=O)ONC(C)=O
InChIInChI=1S/C6H13N2O5P/c1-4-14(11,12-7-5(2)9)13-8-6(3)10/h4H2,1-3H3,(H,7,9)(H,8,10)
InChIKeyQAFNYSFQGJRCFB-UHFFFAOYSA-N
XLogP0.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[acetyloxy(ethyl)phosphoryl] acetate
CID 173089018
dimethyl 2,3-bis[[ethyl(methoxy)phosphoryl]oxy]butanedioate
CID 88549328
CID 175796855
CID 175796855
propane;propan-2-one
CID 90822370
bis(carbamoylamino) propyl phosphate
CID 88818411
pentane-2,4-dione;propan-2-one;ruthenium
CID 175213221
[chlorooxy(ethyl)phosphoryl] hypochlorite
CID 139922572
methyl 4-[ethoxy(ethyl)phosphoryl]oxy-3-methylbut-2-enoate
CID 88829900
[ethoxy(ethyl)phosphoryl]oxymethyl propan-2-yl carbonate
CID 129169212
ethyl N-fluorocarbamate;methane
CID 158743481
N-acetyl-propoxyphosphonamidic acid
CID 146414969
acetamide;phosphonomethylphosphonic acid
CID 19382971

Frequently Asked Questions

What is the IUPAC name of N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide?
The IUPAC name of N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide (CID 54217472) is N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide.
What is the SMILES notation for N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide?
The canonical SMILES for N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide is CCP(=O)(ONC(C)=O)ONC(C)=O.
What is the InChIKey of N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide?
The InChIKey is QAFNYSFQGJRCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O5P/c1-4-14(11,12-7-5(2)9)13-8-6(3)10/h4H2,1-3H3,(H,7,9)(H,8,10).
What are the key properties of N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide?
N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide has a molecular weight of 224.15 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[acetamidooxy(ethyl)phosphoryl]oxyacetamide is sourced from PubChem (CID 54217472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).