1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

C19H24N2O4 — CID 3239736

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H24N2O4/c1-19(18(23)20-14-4-2-3-5-14)9-8-17(22)21(19)11-13-6-7-15-16(10-13)25-12-24-15/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,20,23)
InChIKeyRPAXKXSTNPMHIF-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.36
Rot. Bonds4

About 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide

1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 3239736) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID3239736
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H24N2O4/c1-19(18(23)20-14-4-2-3-5-14)9-8-17(22)21(19)11-13-6-7-15-16(10-13)25-12-24-15/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,20,23)
InChIKeyRPAXKXSTNPMHIF-UHFFFAOYSA-N
XLogP2.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-phenylethyl)pyrrolidine-2,5-dione
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N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-2H-1,3-benzodioxole-5-carboxamide
CID 25218673
N-((2H-1,3-Benzodioxol-5-yl)methyl)ethanimidic acid
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CID 4010093
Agn-PC-0kcayg
CID 4244779
N-(1,3-benzodioxol-5-ylmethyl)-2-(4,4,6-trimethyl-2-thioxotetrahydropyrimidin-1(2H)-yl)acetamide
CID 5179797
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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 3239736) is 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RPAXKXSTNPMHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(18(23)20-14-4-2-3-5-14)9-8-17(22)21(19)11-13-6-7-15-16(10-13)25-12-24-15/h6-7,10,14H,2-5,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3239736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).