N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide

C22H24N2O3 — CID 31799591

About N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 31799591) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide
• PubChem CID: 31799591
• Molecular Formula: C22H24N2O3
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.18
• IUPAC Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1c(C)[nH]c3ccccc13)O[C@H](C)C2
• InChI: InChI=1S/C22H24N2O3/c1-4-26-19-10-15-9-13(2)27-20(15)11-16(19)12-23-22(25)21-14(3)24-18-8-6-5-7-17(18)21/h5-8,10-11,13,24H,4,9,12H2,1-3H3,(H,23,25)/t13-/m1/s1
• InChIKey: QDQRBTNVGNUWNB-CYBMUJFWSA-N
• XLogP: 4.13
• TPSA: 63.35 Ų
• H-Bond Donors: 2
• 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	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide?

The IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide (CID 31799591) is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide.

What is the SMILES notation for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide?

The canonical SMILES for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide is CCOc1cc2c(cc1CNC(=O)c1c(C)[nH]c3ccccc13)O[C@H](C)C2.

What is the InChIKey of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide?

The InChIKey is QDQRBTNVGNUWNB-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-26-19-10-15-9-13(2)27-20(15)11-16(19)12-23-22(25)21-14(3)24-18-8-6-5-7-17(18)21/h5-8,10-11,13,24H,4,9,12H2,1-3H3,(H,23,25)/t13-/m1/s1.

What are the key properties of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide?

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 31799591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).