2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide

C12H17NO4 — CID 82064566

IUPAC2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide
SMILESCc1occc(=O)c1OCC(=O)NCC(C)C
InChIInChI=1S/C12H17NO4/c1-8(2)6-13-11(15)7-17-12-9(3)16-5-4-10(12)14/h4-5,8H,6-7H2,1-3H3,(H,13,15)
InChIKeyZHUOLXSXTKXCHL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.10
Rot. Bonds5

About 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide

2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide (PubChem CID 82064566) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide
PubChem CID82064566
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide
SMILESCc1occc(=O)c1OCC(=O)NCC(C)C
InChIInChI=1S/C12H17NO4/c1-8(2)6-13-11(15)7-17-12-9(3)16-5-4-10(12)14/h4-5,8H,6-7H2,1-3H3,(H,13,15)
InChIKeyZHUOLXSXTKXCHL-UHFFFAOYSA-N
XLogP1.10
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 54748756
N-cyclopentyl-5-ethoxy-4-oxo-4H-pyran-2-carboxamide
CID 30860241
N-cyclopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378251
N-[4-(2-methyl-4-oxopyran-3-yl)oxybutyl]prop-2-enamide
CID 13797268
N-[4-(2-ethyl-4-oxopyran-3-yl)oxybutyl]prop-2-enamide
CID 20214474
3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide
CID 89390543
3-butoxy-N-(3-ethylhexyl)-4-oxopyran-2-carboxamide
CID 89390567
N-[2-[(E)-2-oxohex-3-enoxy]ethyl]but-3-enamide
CID 123876095
3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
CID 143761978
Bis[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)oxyethyl]azanium
CID 167335076
ethane;(E)-N-[2-(2-methylpropoxy)ethyl]-4-oxopent-2-enamide
CID 167490843
(E)-N-[2-(2-methylpropoxy)ethyl]-4-oxopent-2-enamide
CID 167490844

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide (CID 82064566) is 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide is Cc1occc(=O)c1OCC(=O)NCC(C)C.
What is the InChIKey of 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide?
The InChIKey is ZHUOLXSXTKXCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(2)6-13-11(15)7-17-12-9(3)16-5-4-10(12)14/h4-5,8H,6-7H2,1-3H3,(H,13,15).
What are the key properties of 2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide?
2-(2-methyl-4-oxopyran-3-yl)oxy-N-(2-methylpropyl)acetamide has a molecular weight of 239.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 82064566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).