3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide

C14H17NO5 — CID 103568039

IUPAC3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide
SMILESCOc1cc(OCC(=O)C2CCOC2)cc(C(N)=O)c1
InChIInChI=1S/C14H17NO5/c1-18-11-4-10(14(15)17)5-12(6-11)20-8-13(16)9-2-3-19-7-9/h4-6,9H,2-3,7-8H2,1H3,(H2,15,17)
InChIKeyDQVSZCRCEDXLBJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.78
Rot. Bonds6

About 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide

3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide (PubChem CID 103568039) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide.

Molecular Properties

Compound Name3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide
PubChem CID103568039
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide
SMILESCOc1cc(OCC(=O)C2CCOC2)cc(C(N)=O)c1
InChIInChI=1S/C14H17NO5/c1-18-11-4-10(14(15)17)5-12(6-11)20-8-13(16)9-2-3-19-7-9/h4-6,9H,2-3,7-8H2,1H3,(H2,15,17)
InChIKeyDQVSZCRCEDXLBJ-UHFFFAOYSA-N
XLogP0.78
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide
CID 107508253
2-(3-iodophenoxy)-1-(oxolan-3-yl)ethanone
CID 104693460
3-(2-cyclohexyl-2-oxoethoxy)-5-methoxybenzonitrile
CID 103567984
2-(3-methyl-4-nitrophenoxy)-1-(oxolan-3-yl)ethanone
CID 113442118
1-(oxolan-3-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 104693441
N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 103567613
2-[(2-methylpropan-2-yl)oxy]-1-(oxolan-3-yl)ethanone
CID 104751821
2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104752130
2-(4-tert-butyl-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104751850
6-[2-oxo-2-(oxolan-3-yl)ethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 104693520
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(oxan-4-yl)acetamide
CID 103566005

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide?
The IUPAC name of 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide (CID 103568039) is 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide.
What is the SMILES notation for 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide?
The canonical SMILES for 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide is COc1cc(OCC(=O)C2CCOC2)cc(C(N)=O)c1.
What is the InChIKey of 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide?
The InChIKey is DQVSZCRCEDXLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-18-11-4-10(14(15)17)5-12(6-11)20-8-13(16)9-2-3-19-7-9/h4-6,9H,2-3,7-8H2,1H3,(H2,15,17).
What are the key properties of 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide?
3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide has a molecular weight of 279.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[2-oxo-2-(oxolan-3-yl)ethoxy]benzamide is sourced from PubChem (CID 103568039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).