2-(2-cyclopropyl-2-oxoethoxy)benzamide

C12H13NO3 — CID 63913562

IUPAC2-(2-cyclopropyl-2-oxoethoxy)benzamide
SMILESNC(=O)c1ccccc1OCC(=O)C1CC1
InChIInChI=1S/C12H13NO3/c13-12(15)9-3-1-2-4-11(9)16-7-10(14)8-5-6-8/h1-4,8H,5-7H2,(H2,13,15)
InChIKeyOIRBNECXEOOUNY-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.14
Rot. Bonds5

About 2-(2-cyclopropyl-2-oxoethoxy)benzamide

2-(2-cyclopropyl-2-oxoethoxy)benzamide (PubChem CID 63913562) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-oxoethoxy)benzamide
PubChem CID63913562
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name2-(2-cyclopropyl-2-oxoethoxy)benzamide
SMILESNC(=O)c1ccccc1OCC(=O)C1CC1
InChIInChI=1S/C12H13NO3/c13-12(15)9-3-1-2-4-11(9)16-7-10(14)8-5-6-8/h1-4,8H,5-7H2,(H2,13,15)
InChIKeyOIRBNECXEOOUNY-UHFFFAOYSA-N
XLogP1.14
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
2-phenacyloxybenzamide
CID 43218588
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
2-[[2-(2-carbamoylphenoxy)acetyl]-cyclopropylamino]acetic acid
CID 60827374
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-[2-(methylamino)-2-oxoethoxy]benzamide
CID 2578374
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
2-[2-(2-methoxyphenyl)-2-oxoethoxy]benzamide
CID 43218560
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
2-[2-oxo-2-(piperidin-1-ylamino)ethoxy]benzamide
CID 9083909

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethoxy)benzamide?
The IUPAC name of 2-(2-cyclopropyl-2-oxoethoxy)benzamide (CID 63913562) is 2-(2-cyclopropyl-2-oxoethoxy)benzamide.
What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethoxy)benzamide?
The canonical SMILES for 2-(2-cyclopropyl-2-oxoethoxy)benzamide is NC(=O)c1ccccc1OCC(=O)C1CC1.
What is the InChIKey of 2-(2-cyclopropyl-2-oxoethoxy)benzamide?
The InChIKey is OIRBNECXEOOUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c13-12(15)9-3-1-2-4-11(9)16-7-10(14)8-5-6-8/h1-4,8H,5-7H2,(H2,13,15).
What are the key properties of 2-(2-cyclopropyl-2-oxoethoxy)benzamide?
2-(2-cyclopropyl-2-oxoethoxy)benzamide has a molecular weight of 219.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-oxoethoxy)benzamide is sourced from PubChem (CID 63913562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).