N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

C22H24N2O4 — CID 97104848

About N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 97104848) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
• PubChem CID: 97104848
• Molecular Formula: C22H24N2O4
• Molecular Weight: 380.44 g/mol
• Exact Mass: 380.17
• IUPAC Name: N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2cc(C(=O)NC[C@@H](c3ccc4c(c3)CCO4)N(C)C)oc12
• InChI: InChI=1S/C22H24N2O4/c1-24(2)17(14-7-8-18-15(11-14)9-10-27-18)13-23-22(25)20-12-16-5-4-6-19(26-3)21(16)28-20/h4-8,11-12,17H,9-10,13H2,1-3H3,(H,23,25)/t17-/m0/s1
• InChIKey: PBJYFUUZOPTXDO-KRWDZBQOSA-N
• XLogP: 3.41
• TPSA: 63.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.44
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?

The IUPAC name of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 97104848) is N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC[C@@H](c3ccc4c(c3)CCO4)N(C)C)oc12.

What is the InChIKey of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?

The InChIKey is PBJYFUUZOPTXDO-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-24(2)17(14-7-8-18-15(11-14)9-10-27-18)13-23-22(25)20-12-16-5-4-6-19(26-3)21(16)28-20/h4-8,11-12,17H,9-10,13H2,1-3H3,(H,23,25)/t17-/m0/s1.

What are the key properties of N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?

N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97104848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).