tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate

C33H45N7O6 — CID 66881265

About tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate (PubChem CID 66881265) has the molecular formula C33H45N7O6 and a molecular weight of 635.77 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate
• PubChem CID: 66881265
• Molecular Formula: C33H45N7O6
• Molecular Weight: 635.77 g/mol
• Exact Mass: 635.34
• IUPAC Name: tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate
• SMILES: Cc1ccc(-c2noc(=O)n2C)cc1NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N1Cc2ccccc2C1
• InChI: InChI=1S/C33H45N7O6/c1-22(2)40(32(44)45-33(4,5)6)16-15-38(21-29(42)37(8)39-19-25-11-9-10-12-26(25)20-39)28(41)18-34-27-17-24(14-13-23(27)3)30-35-46-31(43)36(30)7/h9-14,17,22,34H,15-16,18-21H2,1-8H3
• InChIKey: INQRFGBLSRYHAS-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 133.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.77
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate?

The IUPAC name of tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate (CID 66881265) is tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate.

What is the SMILES notation for tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate?

The canonical SMILES for tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate is Cc1ccc(-c2noc(=O)n2C)cc1NCC(=O)N(CCN(C(=O)OC(C)(C)C)C(C)C)CC(=O)N(C)N1Cc2ccccc2C1.

What is the InChIKey of tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate?

The InChIKey is INQRFGBLSRYHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N7O6/c1-22(2)40(32(44)45-33(4,5)6)16-15-38(21-29(42)37(8)39-19-25-11-9-10-12-26(25)20-39)28(41)18-34-27-17-24(14-13-23(27)3)30-35-46-31(43)36(30)7/h9-14,17,22,34H,15-16,18-21H2,1-8H3.

What are the key properties of tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate?

tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate has a molecular weight of 635.77 g/mol, XLogP of 3.62, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[2-[1,3-dihydroisoindol-2-yl(methyl)amino]-2-oxoethyl]-[2-[2-methyl-5-(4-methyl-5-oxo-1,2,4-oxadiazol-3-yl)anilino]acetyl]amino]ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 66881265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).