2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide

C30H39N7O4 — CID 58135055

About 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide

2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide (PubChem CID 58135055) has the molecular formula C30H39N7O4 and a molecular weight of 561.69 g/mol. Its IUPAC name is 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide
• PubChem CID: 58135055
• Molecular Formula: C30H39N7O4
• Molecular Weight: 561.69 g/mol
• Exact Mass: 561.31
• IUPAC Name: 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide
• SMILES: Cc1nc(-c2ccc(C)c(N(CC(=O)NCCN3CCC(O)CC3)CC(=O)N(C)N3Cc4ccccc4C3)c2)no1
• InChI: InChI=1S/C30H39N7O4/c1-21-8-9-23(30-32-22(2)41-33-30)16-27(21)36(19-28(39)31-12-15-35-13-10-26(38)11-14-35)20-29(40)34(3)37-17-24-6-4-5-7-25(24)18-37/h4-9,16,26,38H,10-15,17-20H2,1-3H3,(H,31,39)
• InChIKey: ZBDOUBCTOCDLCX-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.69
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide?

The IUPAC name of 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide (CID 58135055) is 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide.

What is the SMILES notation for 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide?

The canonical SMILES for 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide is Cc1nc(-c2ccc(C)c(N(CC(=O)NCCN3CCC(O)CC3)CC(=O)N(C)N3Cc4ccccc4C3)c2)no1.

What is the InChIKey of 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide?

The InChIKey is ZBDOUBCTOCDLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O4/c1-21-8-9-23(30-32-22(2)41-33-30)16-27(21)36(19-28(39)31-12-15-35-13-10-26(38)11-14-35)20-29(40)34(3)37-17-24-6-4-5-7-25(24)18-37/h4-9,16,26,38H,10-15,17-20H2,1-3H3,(H,31,39).

What are the key properties of 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide?

2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide has a molecular weight of 561.69 g/mol, XLogP of 2.12, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[N-[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-N-[2-(4-hydroxypiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 58135055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).