N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

C21H24N2O4 — CID 51598299

About N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (PubChem CID 51598299) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
• PubChem CID: 51598299
• Molecular Formula: C21H24N2O4
• Molecular Weight: 368.43 g/mol
• Exact Mass: 368.17
• IUPAC Name: N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
• SMILES: COc1ccccc1N1C[C@H](NC(=O)c2c(C)oc3c2CCCC3)CC1=O
• InChI: InChI=1S/C21H24N2O4/c1-13-20(15-7-3-5-9-17(15)27-13)21(25)22-14-11-19(24)23(12-14)16-8-4-6-10-18(16)26-2/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,22,25)/t14-/m1/s1
• InChIKey: ZKYXEXSWCUMWGT-CQSZACIVSA-N
• XLogP: 3.01
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.43
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?

The IUPAC name of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (CID 51598299) is N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

What is the SMILES notation for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?

The canonical SMILES for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is COc1ccccc1N1C[C@H](NC(=O)c2c(C)oc3c2CCCC3)CC1=O.

What is the InChIKey of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?

The InChIKey is ZKYXEXSWCUMWGT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-20(15-7-3-5-9-17(15)27-13)21(25)22-14-11-19(24)23(12-14)16-8-4-6-10-18(16)26-2/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,22,25)/t14-/m1/s1.

What are the key properties of N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?

N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 51598299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).