3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide

C22H26N2O3 — CID 26835117

About 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide

3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 26835117) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 26835117
• Molecular Formula: C22H26N2O3
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.19
• IUPAC Name: 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
• SMILES: Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)oc2c1
• InChI: InChI=1S/C22H26N2O3/c1-14-6-8-17-16(3)21(27-20(17)12-14)22(25)23-13-18(24-10-4-5-11-24)19-9-7-15(2)26-19/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,23,25)/t18-/m1/s1
• InChIKey: JCOISPIYCJYNJQ-GOSISDBHSA-N
• XLogP: 4.52
• TPSA: 58.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide (CID 26835117) is 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)oc2c1.

What is the InChIKey of 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?

The InChIKey is JCOISPIYCJYNJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14-6-8-17-16(3)21(27-20(17)12-14)22(25)23-13-18(24-10-4-5-11-24)19-9-7-15(2)26-19/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,23,25)/t18-/m1/s1.

What are the key properties of 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide?

3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26835117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).