N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

C12H17NO4 — CID 82064568

IUPACN-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCC(C)NC(=O)COc1c(C)occc1=O
InChIInChI=1S/C12H17NO4/c1-4-8(2)13-11(15)7-17-12-9(3)16-6-5-10(12)14/h5-6,8H,4,7H2,1-3H3,(H,13,15)
InChIKeyPNWQVJULAGMGST-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.24
Rot. Bonds5

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

N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064568) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064568
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCC(C)NC(=O)COc1c(C)occc1=O
InChIInChI=1S/C12H17NO4/c1-4-8(2)13-11(15)7-17-12-9(3)16-6-5-10(12)14/h5-6,8H,4,7H2,1-3H3,(H,13,15)
InChIKeyPNWQVJULAGMGST-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
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
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6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-(3,3-difluorocyclobutyl)-5-methoxy-4-oxopyran-2-carboxamide
CID 132301258
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
N-[2-[(E)-2-oxohex-3-enoxy]ethyl]but-3-enamide
CID 123876095
3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
CID 143761978
ethane;5-[(2E)-hepta-2,6-dienoxy]-2-methyl-2,3-dihydro-1H-pyridin-6-one
CID 144245089
Bis[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)oxyethyl]azanium
CID 167335076

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064568) is N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is CCC(C)NC(=O)COc1c(C)occc1=O.
What is the InChIKey of N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is PNWQVJULAGMGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-8(2)13-11(15)7-17-12-9(3)16-6-5-10(12)14/h5-6,8H,4,7H2,1-3H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 239.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).