2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide

C14H21NO4 — CID 82064558

IUPAC2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1c(C)occc1=O
InChIInChI=1S/C14H21NO4/c1-4-7-15(8-5-2)13(17)10-19-14-11(3)18-9-6-12(14)16/h6,9H,4-5,7-8,10H2,1-3H3
InChIKeyQRBZCILPSJPKMR-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.98
Rot. Bonds7

About 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide

2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide (PubChem CID 82064558) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide
PubChem CID82064558
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1c(C)occc1=O
InChIInChI=1S/C14H21NO4/c1-4-7-15(8-5-2)13(17)10-19-14-11(3)18-9-6-12(14)16/h6,9H,4-5,7-8,10H2,1-3H3
InChIKeyQRBZCILPSJPKMR-UHFFFAOYSA-N
XLogP1.98
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide?
The IUPAC name of 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide (CID 82064558) is 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide.
What is the SMILES notation for 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide?
The canonical SMILES for 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide is CCCN(CCC)C(=O)COc1c(C)occc1=O.
What is the InChIKey of 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide?
The InChIKey is QRBZCILPSJPKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-7-15(8-5-2)13(17)10-19-14-11(3)18-9-6-12(14)16/h6,9H,4-5,7-8,10H2,1-3H3.
What are the key properties of 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide?
2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide has a molecular weight of 267.32 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide is sourced from PubChem (CID 82064558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).