tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane

C38H61N5O8S — CID 170976157

About tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane

tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane (PubChem CID 170976157) has the molecular formula C38H61N5O8S and a molecular weight of 748.00 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane
• PubChem CID: 170976157
• Molecular Formula: C38H61N5O8S
• Molecular Weight: 748.00 g/mol
• Exact Mass: 747.42
• IUPAC Name: tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane
• SMILES: CC.Cc1ncsc1-c1ccc(C(C)NC(=O)C2CCCN2C(=O)C(NC(=O)COCCOCCOCCNC(=O)OC(C)(C)C)C(C)(C)C)cc1
• InChI: InChI=1S/C36H55N5O8S.C2H6/c1-24(26-11-13-27(14-12-26)30-25(2)38-23-50-30)39-32(43)28-10-9-16-41(28)33(44)31(35(3,4)5)40-29(42)22-48-21-20-47-19-18-46-17-15-37-34(45)49-36(6,7)8;1-2/h11-14,23-24,28,31H,9-10,15-22H2,1-8H3,(H,37,45)(H,39,43)(H,40,42);1-2H3
• InChIKey: MWHWCVJICXHORB-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 157.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	748.00
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane?

The IUPAC name of tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane (CID 170976157) is tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane.

What is the SMILES notation for tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane?

The canonical SMILES for tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane is CC.Cc1ncsc1-c1ccc(C(C)NC(=O)C2CCCN2C(=O)C(NC(=O)COCCOCCOCCNC(=O)OC(C)(C)C)C(C)(C)C)cc1.

What is the InChIKey of tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane?

The InChIKey is MWHWCVJICXHORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H55N5O8S.C2H6/c1-24(26-11-13-27(14-12-26)30-25(2)38-23-50-30)39-32(43)28-10-9-16-41(28)33(44)31(35(3,4)5)40-29(42)22-48-21-20-47-19-18-46-17-15-37-34(45)49-36(6,7)8;1-2/h11-14,23-24,28,31H,9-10,15-22H2,1-8H3,(H,37,45)(H,39,43)(H,40,42);1-2H3.

What are the key properties of tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane?

tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane has a molecular weight of 748.00 g/mol, XLogP of 5.42, 17 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[2-[2-[[3,3-dimethyl-1-[2-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl]carbamate;ethane is sourced from PubChem (CID 170976157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).