butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane

C34H64N4O6 — CID 142268339

About butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane

butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane (PubChem CID 142268339) has the molecular formula C34H64N4O6 and a molecular weight of 624.91 g/mol. Its IUPAC name is butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane.

Molecular Properties

• Compound Name: butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane
• PubChem CID: 142268339
• Molecular Formula: C34H64N4O6
• Molecular Weight: 624.91 g/mol
• Exact Mass: 624.48
• IUPAC Name: butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane
• SMILES: CCC.CCC(C)(CC)OC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)C(N)=O)C1CCCCC1.CCCC
• InChI: InChI=1S/C27H46N4O6.C4H10.C3H8/c1-6-27(5,7-2)37-26(36)30-21(18-12-9-8-10-13-18)25(35)31-15-11-14-20(31)24(34)29-19(16-17(3)4)22(32)23(28)33;1-3-4-2;1-3-2/h17-21H,6-16H2,1-5H3,(H2,28,33)(H,29,34)(H,30,36);3-4H2,1-2H3;3H2,1-2H3
• InChIKey: XJXCRCSVYFYZED-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 147.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.91
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane?

The IUPAC name of butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane (CID 142268339) is butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane.

What is the SMILES notation for butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane?

The canonical SMILES for butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane is CCC.CCC(C)(CC)OC(=O)NC(C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)C(N)=O)C1CCCCC1.CCCC.

What is the InChIKey of butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane?

The InChIKey is XJXCRCSVYFYZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N4O6.C4H10.C3H8/c1-6-27(5,7-2)37-26(36)30-21(18-12-9-8-10-13-18)25(35)31-15-11-14-20(31)24(34)29-19(16-17(3)4)22(32)23(28)33;1-3-4-2;1-3-2/h17-21H,6-16H2,1-5H3,(H2,28,33)(H,29,34)(H,30,36);3-4H2,1-2H3;3H2,1-2H3.

What are the key properties of butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane?

butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane has a molecular weight of 624.91 g/mol, XLogP of 6.04, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for butane;3-methylpentan-3-yl N-[2-[2-[(1-amino-5-methyl-1,2-dioxohexan-3-yl)carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate;propane is sourced from PubChem (CID 142268339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).