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

C28H39Cl2N7O3 — CID 140561384

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

N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride (PubChem CID 140561384) has the molecular formula C28H39Cl2N7O3 and a molecular weight of 592.57 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride
• PubChem CID: 140561384
• Molecular Formula: C28H39Cl2N7O3
• Molecular Weight: 592.57 g/mol
• Exact Mass: 591.25
• IUPAC Name: N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride
• SMILES: CCNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccc(C)cc2C1)c1cc(-c2noc(C)n2)ccc1C.Cl.Cl
• InChI: InChI=1S/C28H37N7O3.2ClH/c1-6-29-11-12-30-26(36)17-34(25-14-22(10-8-20(25)3)28-31-21(4)38-32-28)18-27(37)33(5)35-15-23-9-7-19(2)13-24(23)16-35;;/h7-10,13-14,29H,6,11-12,15-18H2,1-5H3,(H,30,36);2*1H
• InChIKey: JBHPXNLUYQYCNU-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 106.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.57
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride (CID 140561384) is N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride.

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

The canonical SMILES for N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride is CCNCCNC(=O)CN(CC(=O)N(C)N1Cc2ccc(C)cc2C1)c1cc(-c2noc(C)n2)ccc1C.Cl.Cl.

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

The InChIKey is JBHPXNLUYQYCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O3.2ClH/c1-6-29-11-12-30-26(36)17-34(25-14-22(10-8-20(25)3)28-31-21(4)38-32-28)18-27(37)33(5)35-15-23-9-7-19(2)13-24(23)16-35;;/h7-10,13-14,29H,6,11-12,15-18H2,1-5H3,(H,30,36);2*1H.

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

N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride has a molecular weight of 592.57 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(ethylamino)ethyl]-2-[2-methyl-N-[2-[methyl-(5-methyl-1,3-dihydroisoindol-2-yl)amino]-2-oxoethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]acetamide;dihydrochloride is sourced from PubChem (CID 140561384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).