2-(diacetylamino)ethyl acetate

C8H13NO4 — CID 18472053

IUPAC2-(diacetylamino)ethyl acetate
SMILESCC(=O)OCCN(C(C)=O)C(C)=O
InChIInChI=1S/C8H13NO4/c1-6(10)9(7(2)11)4-5-13-8(3)12/h4-5H2,1-3H3
InChIKeySXAOEDBWUOCFAT-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.06
Rot. Bonds3

About 2-(diacetylamino)ethyl acetate

2-(diacetylamino)ethyl acetate (PubChem CID 18472053) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(diacetylamino)ethyl acetate.

Molecular Properties

Compound Name2-(diacetylamino)ethyl acetate
PubChem CID18472053
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(diacetylamino)ethyl acetate
SMILESCC(=O)OCCN(C(C)=O)C(C)=O
InChIInChI=1S/C8H13NO4/c1-6(10)9(7(2)11)4-5-13-8(3)12/h4-5H2,1-3H3
InChIKeySXAOEDBWUOCFAT-UHFFFAOYSA-N
XLogP-0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diacetylamino)ethyl acetate?
The IUPAC name of 2-(diacetylamino)ethyl acetate (CID 18472053) is 2-(diacetylamino)ethyl acetate.
What is the SMILES notation for 2-(diacetylamino)ethyl acetate?
The canonical SMILES for 2-(diacetylamino)ethyl acetate is CC(=O)OCCN(C(C)=O)C(C)=O.
What is the InChIKey of 2-(diacetylamino)ethyl acetate?
The InChIKey is SXAOEDBWUOCFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-6(10)9(7(2)11)4-5-13-8(3)12/h4-5H2,1-3H3.
What are the key properties of 2-(diacetylamino)ethyl acetate?
2-(diacetylamino)ethyl acetate has a molecular weight of 187.19 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diacetylamino)ethyl acetate is sourced from PubChem (CID 18472053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).