[2-(diethylamino)-2-oxoethyl] acetate

C8H15NO3 — CID 19735944

IUPAC[2-(diethylamino)-2-oxoethyl] acetate
SMILESCCN(CC)C(=O)COC(C)=O
InChIInChI=1S/C8H15NO3/c1-4-9(5-2)8(11)6-12-7(3)10/h4-6H2,1-3H3
InChIKeyKQMHMCWLPOEEFV-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.42
Rot. Bonds4

About [2-(diethylamino)-2-oxoethyl] acetate

[2-(diethylamino)-2-oxoethyl] acetate (PubChem CID 19735944) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] acetate
PubChem CID19735944
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[2-(diethylamino)-2-oxoethyl] acetate
SMILESCCN(CC)C(=O)COC(C)=O
InChIInChI=1S/C8H15NO3/c1-4-9(5-2)8(11)6-12-7(3)10/h4-6H2,1-3H3
InChIKeyKQMHMCWLPOEEFV-UHFFFAOYSA-N
XLogP0.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Bis(acetoxyethyl)acetamide
CID 21430
Ethyl N,N-dimethyloxamate
CID 85553
Ethyl N,N-diethyloxamate
CID 138489
N(2-Acetoxyethyl)-N-ethylacetamide
CID 27397
2-(2-(diethylamino)-2-oxoethoxy)-N,N-diethylacetamide
CID 12729092
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
2-Acetoxy-propionic acid bis-(2-acetoxy-propyl)-amide
CID 223955
Ethyl 2-oxo-2-(n,n-dipropylamino)acetate
CID 300609
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
N,N-Diethyl-2-methoxyacetamide
CID 19165524
Acetoxyacetic acid, morpholide
CID 531940
Ethyl 2-[methyl(propan-2-yl)amino]-2-oxoacetate
CID 60893933

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] acetate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] acetate (CID 19735944) is [2-(diethylamino)-2-oxoethyl] acetate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] acetate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] acetate is CCN(CC)C(=O)COC(C)=O.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] acetate?
The InChIKey is KQMHMCWLPOEEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-9(5-2)8(11)6-12-7(3)10/h4-6H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] acetate?
[2-(diethylamino)-2-oxoethyl] acetate has a molecular weight of 173.21 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] acetate is sourced from PubChem (CID 19735944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).