tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane

C40H68N6O8 — CID 142268409

About tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane

tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane (PubChem CID 142268409) has the molecular formula C40H68N6O8 and a molecular weight of 761.02 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane.

Molecular Properties

• Compound Name: tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane
• PubChem CID: 142268409
• Molecular Formula: C40H68N6O8
• Molecular Weight: 761.02 g/mol
• Exact Mass: 760.51
• IUPAC Name: tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane
• SMILES: C.CC.CC1CCC1.CN(C)C(=O)CC(NC(=O)CNC(=O)C(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C32H48N6O8.C5H10.C2H6.CH4/c1-31(2,3)26(36-30(45)46-32(4,5)6)29(44)38-16-12-15-22(38)27(42)33-18-23(39)28(43)34-19-24(40)35-21(17-25(41)37(7)8)20-13-10-9-11-14-20;1-5-3-2-4-5;1-2;/h9-11,13-14,21-22,26H,12,15-19H2,1-8H3,(H,33,42)(H,34,43)(H,35,40)(H,36,45);5H,2-4H2,1H3;1-2H3;1H4
• InChIKey: YMQZEUXFENWSKT-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 183.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	761.02
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane?

The IUPAC name of tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane (CID 142268409) is tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane.

What is the SMILES notation for tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane?

The canonical SMILES for tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane is C.CC.CC1CCC1.CN(C)C(=O)CC(NC(=O)CNC(=O)C(=O)CNC(=O)C1CCCN1C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1.

What is the InChIKey of tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane?

The InChIKey is YMQZEUXFENWSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N6O8.C5H10.C2H6.CH4/c1-31(2,3)26(36-30(45)46-32(4,5)6)29(44)38-16-12-15-22(38)27(42)33-18-23(39)28(43)34-19-24(40)35-21(17-25(41)37(7)8)20-13-10-9-11-14-20;1-5-3-2-4-5;1-2;/h9-11,13-14,21-22,26H,12,15-19H2,1-8H3,(H,33,42)(H,34,43)(H,35,40)(H,36,45);5H,2-4H2,1H3;1-2H3;1H4.

What are the key properties of tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane?

tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane has a molecular weight of 761.02 g/mol, XLogP of 4.52, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[2-[[3-[[2-[[3-(dimethylamino)-3-oxo-1-phenylpropyl]amino]-2-oxoethyl]amino]-2,3-dioxopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;ethane;methane;methylcyclobutane is sourced from PubChem (CID 142268409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).