2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide

C76H77N9O14 — CID 160994756

About 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide

2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide (PubChem CID 160994756) has the molecular formula C76H77N9O14 and a molecular weight of 1340.50 g/mol. Its IUPAC name is 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
• PubChem CID: 160994756
• Molecular Formula: C76H77N9O14
• Molecular Weight: 1340.50 g/mol
• Exact Mass: 1339.56
• IUPAC Name: 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide
• SMILES: CC(=O)NCC(=O)N(C)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1.COc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1.COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1
• InChI: InChI=1S/C28H27N3O5.C27H27N3O4.C21H23N3O5/c1-31(26(32)15-19-17-29-23-6-4-3-5-22(19)23)27(18-7-10-21(34-2)11-8-18)28(33)30-20-9-12-24-25(16-20)36-14-13-35-24;1-30(25(31)16-19-17-28-24-7-5-4-6-23(19)24)26(18-8-12-21(33-2)13-9-18)27(32)29-20-10-14-22(34-3)15-11-20;1-14(25)22-13-19(26)24(2)20(15-6-4-3-5-7-15)21(27)23-16-8-9-17-18(12-16)29-11-10-28-17/h3-12,16-17,27,29H,13-15H2,1-2H3,(H,30,33);4-15,17,26,28H,16H2,1-3H3,(H,29,32);3-9,12,20H,10-11,13H2,1-2H3,(H,22,25)(H,23,27)
• InChIKey: TVCBAHYEJCLTEX-UHFFFAOYSA-N
• XLogP: 10.63
• TPSA: 273.52 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1340.50
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide (CID 160994756) is 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide is CC(=O)NCC(=O)N(C)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1.COc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1.COc1ccc(NC(=O)C(c2ccc(OC)cc2)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1.

What is the InChIKey of 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?

The InChIKey is TVCBAHYEJCLTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5.C27H27N3O4.C21H23N3O5/c1-31(26(32)15-19-17-29-23-6-4-3-5-22(19)23)27(18-7-10-21(34-2)11-8-18)28(33)30-20-9-12-24-25(16-20)36-14-13-35-24;1-30(25(31)16-19-17-28-24-7-5-4-6-23(19)24)26(18-8-12-21(33-2)13-9-18)27(32)29-20-10-14-22(34-3)15-11-20;1-14(25)22-13-19(26)24(2)20(15-6-4-3-5-7-15)21(27)23-16-8-9-17-18(12-16)29-11-10-28-17/h3-12,16-17,27,29H,13-15H2,1-2H3,(H,30,33);4-15,17,26,28H,16H2,1-3H3,(H,29,32);3-9,12,20H,10-11,13H2,1-2H3,(H,22,25)(H,23,27).

What are the key properties of 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide?

2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide has a molecular weight of 1340.50 g/mol, XLogP of 10.63, 21 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-(4-methoxyphenyl)acetamide;2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N,2-bis(4-methoxyphenyl)acetamide is sourced from PubChem (CID 160994756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).