2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide

C11H15NO4 — CID 82064661

IUPAC2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COc1c(C)occc1=O
InChIInChI=1S/C11H15NO4/c1-3-5-12-10(14)7-16-11-8(2)15-6-4-9(11)13/h4,6H,3,5,7H2,1-2H3,(H,12,14)
InChIKeyPHTAULQGJNNVDN-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.85
Rot. Bonds5

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

2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide (PubChem CID 82064661) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide
PubChem CID82064661
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide
SMILESCCCNC(=O)COc1c(C)occc1=O
InChIInChI=1S/C11H15NO4/c1-3-5-12-10(14)7-16-11-8(2)15-6-4-9(11)13/h4,6H,3,5,7H2,1-2H3,(H,12,14)
InChIKeyPHTAULQGJNNVDN-UHFFFAOYSA-N
XLogP0.85
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
CID 90672508
N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 54748756
N-cyclopentyl-5-ethoxy-4-oxo-4H-pyran-2-carboxamide
CID 30860241
6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
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
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 54696509
Ethyl 3-[(5-hydroxy-4-oxopyran-2-carbonyl)amino]propanoate
CID 88998063
N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
CID 89020241
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide?
The IUPAC name of 2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide (CID 82064661) is 2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide.
What is the SMILES notation for 2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide?
The canonical SMILES for 2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide is CCCNC(=O)COc1c(C)occc1=O.
What is the InChIKey of 2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide?
The InChIKey is PHTAULQGJNNVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-5-12-10(14)7-16-11-8(2)15-6-4-9(11)13/h4,6H,3,5,7H2,1-2H3,(H,12,14).
What are the key properties of 2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide?
2-(2-methyl-4-oxopyran-3-yl)oxy-N-propylacetamide has a molecular weight of 225.24 g/mol, XLogP of 0.85, 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-propylacetamide is sourced from PubChem (CID 82064661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).