N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane

C32H61N5O5 — CID 143351060

About N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane (PubChem CID 143351060) has the molecular formula C32H61N5O5 and a molecular weight of 595.87 g/mol. Its IUPAC name is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane.

Molecular Properties

• Compound Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane
• PubChem CID: 143351060
• Molecular Formula: C32H61N5O5
• Molecular Weight: 595.87 g/mol
• Exact Mass: 595.47
• IUPAC Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane
• SMILES: CC.CC1(NC=O)CCCCC1.CCC.CNC(C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O)C(C)(C)C
• InChI: InChI=1S/C19H32N4O4.C8H15NO.C3H8.C2H6/c1-19(2,3)15(21-4)18(27)23-9-5-6-13(23)17(26)22-12(10-11-7-8-11)14(24)16(20)25;1-8(9-7-10)5-3-2-4-6-8;1-3-2;1-2/h11-13,15,21H,5-10H2,1-4H3,(H2,20,25)(H,22,26);7H,2-6H2,1H3,(H,9,10);3H2,1-2H3;1-2H3
• InChIKey: QAWSIAAXNDBMHD-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 150.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.87
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane?

The IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane (CID 143351060) is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane.

What is the SMILES notation for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane?

The canonical SMILES for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane is CC.CC1(NC=O)CCCCC1.CCC.CNC(C(=O)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O)C(C)(C)C.

What is the InChIKey of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane?

The InChIKey is QAWSIAAXNDBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4.C8H15NO.C3H8.C2H6/c1-19(2,3)15(21-4)18(27)23-9-5-6-13(23)17(26)22-12(10-11-7-8-11)14(24)16(20)25;1-8(9-7-10)5-3-2-4-6-8;1-3-2;1-2/h11-13,15,21H,5-10H2,1-4H3,(H2,20,25)(H,22,26);7H,2-6H2,1H3,(H,9,10);3H2,1-2H3;1-2H3.

What are the key properties of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane?

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane has a molecular weight of 595.87 g/mol, XLogP of 3.85, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3,3-dimethyl-2-(methylamino)butanoyl]pyrrolidine-2-carboxamide;ethane;N-(1-methylcyclohexyl)formamide;propane is sourced from PubChem (CID 143351060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).