4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

C17H22N2O3 — CID 3242801

IUPAC4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCO2)cc1N1CCCC1=O
InChIInChI=1S/C17H22N2O3/c1-12-6-7-13(10-15(12)19-8-2-5-16(19)20)17(21)18-11-14-4-3-9-22-14/h6-7,10,14H,2-5,8-9,11H2,1H3,(H,18,21)
InChIKeyKCDLVDAYXXXZDU-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.03
Rot. Bonds4

About 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3242801) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3242801
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCC2CCCO2)cc1N1CCCC1=O
InChIInChI=1S/C17H22N2O3/c1-12-6-7-13(10-15(12)19-8-2-5-16(19)20)17(21)18-11-14-4-3-9-22-14/h6-7,10,14H,2-5,8-9,11H2,1H3,(H,18,21)
InChIKeyKCDLVDAYXXXZDU-UHFFFAOYSA-N
XLogP2.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 3242801) is 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(C(=O)NCC2CCCO2)cc1N1CCCC1=O.
What is the InChIKey of 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is KCDLVDAYXXXZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-6-7-13(10-15(12)19-8-2-5-16(19)20)17(21)18-11-14-4-3-9-22-14/h6-7,10,14H,2-5,8-9,11H2,1H3,(H,18,21).
What are the key properties of 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide?
4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 302.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3242801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).