N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

C20H20N2O4 — CID 110606566

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-19-9-7-16(22(19)15-4-2-1-3-5-15)20(24)21-11-10-14-6-8-17-18(12-14)26-13-25-17/h1-6,8,12,16H,7,9-11,13H2,(H,21,24)
InChIKeyOCDSEWTYXPBVJP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110606566) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110606566
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)C1CCC(=O)N1c1ccccc1
InChIInChI=1S/C20H20N2O4/c23-19-9-7-16(22(19)15-4-2-1-3-5-15)20(24)21-11-10-14-6-8-17-18(12-14)26-13-25-17/h1-6,8,12,16H,7,9-11,13H2,(H,21,24)
InChIKeyOCDSEWTYXPBVJP-UHFFFAOYSA-N
XLogP2.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110626566
cis-(1S,2R)-2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125153991
N-(3-acetamidopropyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110630711
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
CID 110615621
1-(1,3-benzodioxol-5-ylmethyl)-N-butyl-5-oxopyrrolidine-2-carboxamide
CID 91955392
(3R)-2-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39966786
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 136525165
N-[2-(3-methoxyphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373767
5-oxo-1-phenyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 110406517
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 75437860
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-phenylpyrazolidine-3-carboxamide
CID 52975622
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167361

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110606566) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is O=C(NCCc1ccc2c(c1)OCO2)C1CCC(=O)N1c1ccccc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is OCDSEWTYXPBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19-9-7-16(22(19)15-4-2-1-3-5-15)20(24)21-11-10-14-6-8-17-18(12-14)26-13-25-17/h1-6,8,12,16H,7,9-11,13H2,(H,21,24).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110606566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).