1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C18H20N2O3 — CID 4794237

IUPAC1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCc3ccco3)CC2=O)c1C
InChIInChI=1S/C18H20N2O3/c1-12-5-3-7-16(13(12)2)20-11-14(9-17(20)21)18(22)19-10-15-6-4-8-23-15/h3-8,14H,9-11H2,1-2H3,(H,19,22)
InChIKeyURFIAMHPDNCSPK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.57
Rot. Bonds4

About 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4794237) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4794237
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(N2CC(C(=O)NCc3ccco3)CC2=O)c1C
InChIInChI=1S/C18H20N2O3/c1-12-5-3-7-16(13(12)2)20-11-14(9-17(20)21)18(22)19-10-15-6-4-8-23-15/h3-8,14H,9-11H2,1-2H3,(H,19,22)
InChIKeyURFIAMHPDNCSPK-UHFFFAOYSA-N
XLogP2.57
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 4794237) is 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(N2CC(C(=O)NCc3ccco3)CC2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is URFIAMHPDNCSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-5-3-7-16(13(12)2)20-11-14(9-17(20)21)18(22)19-10-15-6-4-8-23-15/h3-8,14H,9-11H2,1-2H3,(H,19,22).
What are the key properties of 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4794237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).