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

C16H17NO4 — CID 82064511

IUPACN-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCc1ccc(NC(=O)COc2c(C)occc2=O)cc1
InChIInChI=1S/C16H17NO4/c1-3-12-4-6-13(7-5-12)17-15(19)10-21-16-11(2)20-9-8-14(16)18/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyDDALVBWMCOAGHU-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.53
Rot. Bonds5

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

N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064511) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064511
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC NameN-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCc1ccc(NC(=O)COc2c(C)occc2=O)cc1
InChIInChI=1S/C16H17NO4/c1-3-12-4-6-13(7-5-12)17-15(19)10-21-16-11(2)20-9-8-14(16)18/h4-9H,3,10H2,1-2H3,(H,17,19)
InChIKeyDDALVBWMCOAGHU-UHFFFAOYSA-N
XLogP2.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 82064512
N-butyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064564
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 7686490
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
2-[4-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35364935
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
N-(4-ethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 86919939

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064511) is N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is CCc1ccc(NC(=O)COc2c(C)occc2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is DDALVBWMCOAGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-12-4-6-13(7-5-12)17-15(19)10-21-16-11(2)20-9-8-14(16)18/h4-9H,3,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 287.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).