2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide

C14H20N2O3 — CID 815165

IUPAC2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C14H20N2O3/c1-10-9-12(11(2)19-10)14(18)15-6-5-13(17)16-7-3-4-8-16/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyCLIAOLFWMDANJR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds4

About 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide

2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide (PubChem CID 815165) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
PubChem CID815165
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)N2CCCC2)c(C)o1
InChIInChI=1S/C14H20N2O3/c1-10-9-12(11(2)19-10)14(18)15-6-5-13(17)16-7-3-4-8-16/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyCLIAOLFWMDANJR-UHFFFAOYSA-N
XLogP1.64
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide (CID 815165) is 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide is Cc1cc(C(=O)NCCC(=O)N2CCCC2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide?
The InChIKey is CLIAOLFWMDANJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-9-12(11(2)19-10)14(18)15-6-5-13(17)16-7-3-4-8-16/h9H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide?
2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide is sourced from PubChem (CID 815165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).