4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide

C17H19N3O3 — CID 71936127

IUPAC4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCCC2c2ccc[nH]2)cc1
InChIInChI=1S/C17H19N3O3/c18-17(22)12-5-7-13(8-6-12)23-11-16(21)20-10-2-4-15(20)14-3-1-9-19-14/h1,3,5-9,15,19H,2,4,10-11H2,(H2,18,22)
InChIKeyGOJZOSGHCGCSIE-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.86
Rot. Bonds5

About 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide

4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide (PubChem CID 71936127) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide
PubChem CID71936127
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)N2CCCC2c2ccc[nH]2)cc1
InChIInChI=1S/C17H19N3O3/c18-17(22)12-5-7-13(8-6-12)23-11-16(21)20-10-2-4-15(20)14-3-1-9-19-14/h1,3,5-9,15,19H,2,4,10-11H2,(H2,18,22)
InChIKeyGOJZOSGHCGCSIE-UHFFFAOYSA-N
XLogP1.86
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-1-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 94182209
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CID 8566227
5-bromo-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 107909521
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 79203455
(2R,3R)-1-[2-(4-carbamoylphenoxy)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122115605
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466
2-(2-aminophenyl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanone
CID 61108059
4-hydroxy-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 79203456
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
1-(2,3-dihydro-1H-inden-5-yl)-4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,4-dione
CID 96556481
4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
CID 56779308

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide (CID 71936127) is 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)N2CCCC2c2ccc[nH]2)cc1.
What is the InChIKey of 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide?
The InChIKey is GOJZOSGHCGCSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-17(22)12-5-7-13(8-6-12)23-11-16(21)20-10-2-4-15(20)14-3-1-9-19-14/h1,3,5-9,15,19H,2,4,10-11H2,(H2,18,22).
What are the key properties of 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide?
4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide has a molecular weight of 313.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethoxy]benzamide is sourced from PubChem (CID 71936127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).