N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

C12H17NO4 — CID 82064556

IUPACN,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCN(CC)C(=O)COc1c(C)occc1=O
InChIInChI=1S/C12H17NO4/c1-4-13(5-2)11(15)8-17-12-9(3)16-7-6-10(12)14/h6-7H,4-5,8H2,1-3H3
InChIKeyUOKWTACFHSJCQI-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.20
Rot. Bonds5

About N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064556) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064556
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCN(CC)C(=O)COc1c(C)occc1=O
InChIInChI=1S/C12H17NO4/c1-4-13(5-2)11(15)8-17-12-9(3)16-7-6-10(12)14/h6-7H,4-5,8H2,1-3H3
InChIKeyUOKWTACFHSJCQI-UHFFFAOYSA-N
XLogP1.20
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064556) is N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is CCN(CC)C(=O)COc1c(C)occc1=O.
What is the InChIKey of N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is UOKWTACFHSJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-13(5-2)11(15)8-17-12-9(3)16-7-6-10(12)14/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 239.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).