N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H18N2O4 — CID 6497309

IUPACN-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ccc3c(c2)OCO3)CC1=O
InChIInChI=1S/C19H18N2O4/c1-12-4-2-3-5-15(12)21-10-13(8-18(21)22)19(23)20-14-6-7-16-17(9-14)25-11-24-16/h2-7,9,13H,8,10-11H2,1H3,(H,20,23)
InChIKeyZDEKZTBQWNWLTN-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.72
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6497309) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6497309
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1CC(C(=O)Nc2ccc3c(c2)OCO3)CC1=O
InChIInChI=1S/C19H18N2O4/c1-12-4-2-3-5-15(12)21-10-13(8-18(21)22)19(23)20-14-6-7-16-17(9-14)25-11-24-16/h2-7,9,13H,8,10-11H2,1H3,(H,20,23)
InChIKeyZDEKZTBQWNWLTN-UHFFFAOYSA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 6497309) is N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1CC(C(=O)Nc2ccc3c(c2)OCO3)CC1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZDEKZTBQWNWLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-4-2-3-5-15(12)21-10-13(8-18(21)22)19(23)20-14-6-7-16-17(9-14)25-11-24-16/h2-7,9,13H,8,10-11H2,1H3,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6497309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).