(2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C22H24N2O3 — CID 124755303

About (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

(2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 124755303) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
• PubChem CID: 124755303
• Molecular Formula: C22H24N2O3
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.18
• IUPAC Name: (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
• SMILES: C[C@H]1Cc2cc(C(=O)NCc3ccccc3CN3CCCC3=O)ccc2O1
• InChI: InChI=1S/C22H24N2O3/c1-15-11-19-12-16(8-9-20(19)27-15)22(26)23-13-17-5-2-3-6-18(17)14-24-10-4-7-21(24)25/h2-3,5-6,8-9,12,15H,4,7,10-11,13-14H2,1H3,(H,23,26)/t15-/m0/s1
• InChIKey: QBZLLWJGEFEXLR-HNNXBMFYSA-N
• XLogP: 3.06
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The IUPAC name of (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 124755303) is (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

What is the SMILES notation for (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The canonical SMILES for (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is C[C@H]1Cc2cc(C(=O)NCc3ccccc3CN3CCCC3=O)ccc2O1.

What is the InChIKey of (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?

The InChIKey is QBZLLWJGEFEXLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-11-19-12-16(8-9-20(19)27-15)22(26)23-13-17-5-2-3-6-18(17)14-24-10-4-7-21(24)25/h2-3,5-6,8-9,12,15H,4,7,10-11,13-14H2,1H3,(H,23,26)/t15-/m0/s1.

What are the key properties of (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?

(2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-methyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 124755303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).