2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide

C16H22N2O2 — CID 123586173

IUPAC2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(=O)Cc1ccccc1C(=O)NCCN1CCCC1
InChIInChI=1S/C16H22N2O2/c1-13(19)12-14-6-2-3-7-15(14)16(20)17-8-11-18-9-4-5-10-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,17,20)
InChIKeyZACBJIVXULBMQY-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.64
Rot. Bonds6

About 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide

2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 123586173) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID123586173
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(=O)Cc1ccccc1C(=O)NCCN1CCCC1
InChIInChI=1S/C16H22N2O2/c1-13(19)12-14-6-2-3-7-15(14)16(20)17-8-11-18-9-4-5-10-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,17,20)
InChIKeyZACBJIVXULBMQY-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492
N-(2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylmethyl)benzamide
CID 91950447
2-acetyl-N-[2-(4-acetylpiperazin-1-yl)ethyl]benzamide
CID 71871594
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
2-(methylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 55211981
2-benzyl-N-(2-morpholin-4-ylethyl)benzamide
CID 51159471

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 123586173) is 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide is CC(=O)Cc1ccccc1C(=O)NCCN1CCCC1.
What is the InChIKey of 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is ZACBJIVXULBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(19)12-14-6-2-3-7-15(14)16(20)17-8-11-18-9-4-5-10-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,17,20).
What are the key properties of 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 274.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 123586173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).