3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide

C25H30N2O2 — CID 35573005

About 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide

3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 35573005) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 35573005
• Molecular Formula: C25H30N2O2
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.23
• IUPAC Name: 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCC2)cc1
• InChI: InChI=1S/C25H30N2O2/c1-16-7-9-20(10-8-16)21(27-11-5-6-12-27)15-26-25(28)24-19(4)23-18(3)13-17(2)14-22(23)29-24/h7-10,13-14,21H,5-6,11-12,15H2,1-4H3,(H,26,28)/t21-/m0/s1
• InChIKey: XAHCIALNIHNSBV-NRFANRHFSA-N
• XLogP: 5.23
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide (CID 35573005) is 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide is Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCC2)cc1.

What is the InChIKey of 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?

The InChIKey is XAHCIALNIHNSBV-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-16-7-9-20(10-8-16)21(27-11-5-6-12-27)15-26-25(28)24-19(4)23-18(3)13-17(2)14-22(23)29-24/h7-10,13-14,21H,5-6,11-12,15H2,1-4H3,(H,26,28)/t21-/m0/s1.

What are the key properties of 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?

3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4,6-trimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35573005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).