2-(2-oxoethoxy)benzamide

C9H9NO3 — CID 21273663

IUPAC2-(2-oxoethoxy)benzamide
SMILESNC(=O)c1ccccc1OCC=O
InChIInChI=1S/C9H9NO3/c10-9(12)7-3-1-2-4-8(7)13-6-5-11/h1-5H,6H2,(H2,10,12)
InChIKeyPGMHVUHRSQDURT-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.36
Rot. Bonds4

About 2-(2-oxoethoxy)benzamide

2-(2-oxoethoxy)benzamide (PubChem CID 21273663) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(2-oxoethoxy)benzamide.

Molecular Properties

Compound Name2-(2-oxoethoxy)benzamide
PubChem CID21273663
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(2-oxoethoxy)benzamide
SMILESNC(=O)c1ccccc1OCC=O
InChIInChI=1S/C9H9NO3/c10-9(12)7-3-1-2-4-8(7)13-6-5-11/h1-5H,6H2,(H2,10,12)
InChIKeyPGMHVUHRSQDURT-UHFFFAOYSA-N
XLogP0.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(E)-4-[2-[(2-carbamoylphenoxy)methyl]phenoxy]but-2-enoxy]phenyl]methoxy]benzamide
CID 134973783
phenyl 2-(2-oxoethoxy)benzoate
CID 54027293
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
2-phenacyloxybenzamide
CID 43218588
2-(methylsulfonylmethoxy)benzamide
CID 118665617
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 160645363
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
2-(5-formylpyrimidin-2-yl)oxybenzamide
CID 113387686
2-(3-azidopropoxy)benzamide
CID 61396560

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoethoxy)benzamide?
The IUPAC name of 2-(2-oxoethoxy)benzamide (CID 21273663) is 2-(2-oxoethoxy)benzamide.
What is the SMILES notation for 2-(2-oxoethoxy)benzamide?
The canonical SMILES for 2-(2-oxoethoxy)benzamide is NC(=O)c1ccccc1OCC=O.
What is the InChIKey of 2-(2-oxoethoxy)benzamide?
The InChIKey is PGMHVUHRSQDURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-9(12)7-3-1-2-4-8(7)13-6-5-11/h1-5H,6H2,(H2,10,12).
What are the key properties of 2-(2-oxoethoxy)benzamide?
2-(2-oxoethoxy)benzamide has a molecular weight of 179.17 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoethoxy)benzamide is sourced from PubChem (CID 21273663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).