2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide

C12H24N2O3 — CID 12729092

IUPAC2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COCC(=O)N(CC)CC
InChIInChI=1S/C12H24N2O3/c1-5-13(6-2)11(15)9-17-10-12(16)14(7-3)8-4/h5-10H2,1-4H3
InChIKeyRTVGGAWXDVNQHB-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.74
Rot. Bonds8

About 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide

2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide (PubChem CID 12729092) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
PubChem CID12729092
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COCC(=O)N(CC)CC
InChIInChI=1S/C12H24N2O3/c1-5-13(6-2)11(15)9-17-10-12(16)14(7-3)8-4/h5-10H2,1-4H3
InChIKeyRTVGGAWXDVNQHB-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide (CID 12729092) is 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COCC(=O)N(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide?
The InChIKey is RTVGGAWXDVNQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-13(6-2)11(15)9-17-10-12(16)14(7-3)8-4/h5-10H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide?
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide has a molecular weight of 244.33 g/mol, XLogP of 0.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide is sourced from PubChem (CID 12729092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).