N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C19H18N2O4 — CID 3242740

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H18N2O4/c22-18-5-2-8-21(18)15-4-1-3-14(10-15)19(23)20-11-13-6-7-16-17(9-13)25-12-24-16/h1,3-4,6-7,9-10H,2,5,8,11-12H2,(H,20,23)
InChIKeyKSIFZVFHZMNZLO-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.47
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3242740) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3242740
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C19H18N2O4/c22-18-5-2-8-21(18)15-4-1-3-14(10-15)19(23)20-11-13-6-7-16-17(9-13)25-12-24-16/h1,3-4,6-7,9-10H,2,5,8,11-12H2,(H,20,23)
InChIKeyKSIFZVFHZMNZLO-UHFFFAOYSA-N
XLogP2.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ecabapide
CID 65885
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
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CID 321423
N-(2-aminophenyl)-4-[[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 11690271
1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone
CID 669591
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
N-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669590
Benzo[1,3]dioxol-5-yl-[4-(4-fluoro-phenyl)-piperazin-1-yl]-methanone
CID 647876
N-(3-acetylphenyl)-3,4-dimethoxybenzamide
CID 2171051
N-(1,3-benzodioxol-5-ylmethyl)benzamide
CID 2306549

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 3242740) is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KSIFZVFHZMNZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18-5-2-8-21(18)15-4-1-3-14(10-15)19(23)20-11-13-6-7-16-17(9-13)25-12-24-16/h1,3-4,6-7,9-10H,2,5,8,11-12H2,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 338.36 g/mol, XLogP of 2.47, 4 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-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3242740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).