4-(2-oxoethoxy)benzamide

C9H9NO3 — CID 54336602

IUPAC4-(2-oxoethoxy)benzamide
SMILESNC(=O)c1ccc(OCC=O)cc1
InChIInChI=1S/C9H9NO3/c10-9(12)7-1-3-8(4-2-7)13-6-5-11/h1-5H,6H2,(H2,10,12)
InChIKeyBFVVMQUMXUYSGM-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.36
Rot. Bonds4

About 4-(2-oxoethoxy)benzamide

4-(2-oxoethoxy)benzamide (PubChem CID 54336602) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 4-(2-oxoethoxy)benzamide.

Molecular Properties

Compound Name4-(2-oxoethoxy)benzamide
PubChem CID54336602
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name4-(2-oxoethoxy)benzamide
SMILESNC(=O)c1ccc(OCC=O)cc1
InChIInChI=1S/C9H9NO3/c10-9(12)7-1-3-8(4-2-7)13-6-5-11/h1-5H,6H2,(H2,10,12)
InChIKeyBFVVMQUMXUYSGM-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

4-(4-aminobut-2-enoxy)benzamide
CID 77110813
2-(4-benzoylphenoxy)acetaldehyde
CID 62028951
ethyl 2-[4-[4-(2-oxoethoxy)benzoyl]phenoxy]acetate
CID 118085162
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-(4-ethoxyphenyl)benzamide
CID 163572533
4-(3,3-dimethyl-4-oxobutoxy)benzamide
CID 57193275
bis(4-carbamoylphenoxy)-oxophosphanium
CID 175103323
4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 61076061
4-(4-propoxyphenyl)benzamide
CID 23771495
4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208
4-(2-sulfanylpropoxy)benzamide
CID 137429548
4-[2-(2-aminoethoxy)ethoxy]benzamide
CID 82146872

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoethoxy)benzamide?
The IUPAC name of 4-(2-oxoethoxy)benzamide (CID 54336602) is 4-(2-oxoethoxy)benzamide.
What is the SMILES notation for 4-(2-oxoethoxy)benzamide?
The canonical SMILES for 4-(2-oxoethoxy)benzamide is NC(=O)c1ccc(OCC=O)cc1.
What is the InChIKey of 4-(2-oxoethoxy)benzamide?
The InChIKey is BFVVMQUMXUYSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-9(12)7-1-3-8(4-2-7)13-6-5-11/h1-5H,6H2,(H2,10,12).
What are the key properties of 4-(2-oxoethoxy)benzamide?
4-(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 4-(2-oxoethoxy)benzamide is sourced from PubChem (CID 54336602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).