N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

C18H22N2O4 — CID 3239336

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H22N2O4/c21-17-8-13(10-20(17)14-3-1-2-4-14)18(22)19-9-12-5-6-15-16(7-12)24-11-23-15/h5-7,13-14H,1-4,8-11H2,(H,19,22)
InChIKeyQERHPBSITCGDKX-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.82
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3239336) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3239336
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C18H22N2O4/c21-17-8-13(10-20(17)14-3-1-2-4-14)18(22)19-9-12-5-6-15-16(7-12)24-11-23-15/h5-7,13-14H,1-4,8-11H2,(H,19,22)
InChIKeyQERHPBSITCGDKX-UHFFFAOYSA-N
XLogP1.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.82
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-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide (CID 3239336) is N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QERHPBSITCGDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-17-8-13(10-20(17)14-3-1-2-4-14)18(22)19-9-12-5-6-15-16(7-12)24-11-23-15/h5-7,13-14H,1-4,8-11H2,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 1.82, 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)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3239336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).