2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

C17H19N3O3 — CID 3219765

IUPAC2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O3/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,18,21)(H,19,22)
InChIKeyRGIHTZFEDMYHIH-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.59
Rot. Bonds4

About 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3219765) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3219765
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C17H19N3O3/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,18,21)(H,19,22)
InChIKeyRGIHTZFEDMYHIH-UHFFFAOYSA-N
XLogP2.59
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3219765) is 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is O=C(NCc1ccco1)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is RGIHTZFEDMYHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(18-12-14-8-5-11-23-14)15-9-4-10-20(15)17(22)19-13-6-2-1-3-7-13/h1-3,5-8,11,15H,4,9-10,12H2,(H,18,21)(H,19,22).
What are the key properties of 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).