1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

C19H24N2O4 — CID 2986800

IUPAC1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C19H24N2O4/c22-18-10-13(12-21(18)15-4-2-1-3-5-15)19(23)20-14-6-7-16-17(11-14)25-9-8-24-16/h6-7,11,13,15H,1-5,8-10,12H2,(H,20,23)
InChIKeyCUQPHLHZDFJXCO-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.58
Rot. Bonds3

About 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2986800) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2986800
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C19H24N2O4/c22-18-10-13(12-21(18)15-4-2-1-3-5-15)19(23)20-14-6-7-16-17(11-14)25-9-8-24-16/h6-7,11,13,15H,1-5,8-10,12H2,(H,20,23)
InChIKeyCUQPHLHZDFJXCO-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 2986800) is 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CUQPHLHZDFJXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-18-10-13(12-21(18)15-4-2-1-3-5-15)19(23)20-14-6-7-16-17(11-14)25-9-8-24-16/h6-7,11,13,15H,1-5,8-10,12H2,(H,20,23).
What are the key properties of 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2986800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).