1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide

C31H66N4O5 — CID 143350939

About 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide

1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide (PubChem CID 143350939) has the molecular formula C31H66N4O5 and a molecular weight of 574.89 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide.

Molecular Properties

• Compound Name: 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide
• PubChem CID: 143350939
• Molecular Formula: C31H66N4O5
• Molecular Weight: 574.89 g/mol
• Exact Mass: 574.50
• IUPAC Name: 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide
• SMILES: C=CCNC=O.CC.CCC.CCC(C)CC.CNC(C(=O)N1CCCC1C(=O)NCC(C)=O)C(C)(C)C.CO
• InChI: InChI=1S/C15H27N3O3.C6H14.C4H7NO.C3H8.C2H6.CH4O/c1-10(19)9-17-13(20)11-7-6-8-18(11)14(21)12(16-5)15(2,3)4;1-4-6(3)5-2;1-2-3-5-4-6;1-3-2;2*1-2/h11-12,16H,6-9H2,1-5H3,(H,17,20);6H,4-5H2,1-3H3;2,4H,1,3H2,(H,5,6);3H2,1-2H3;1-2H3;2H,1H3
• InChIKey: RDBDYYACZGNSFI-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 127.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.89
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide?

The IUPAC name of 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide (CID 143350939) is 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide.

What is the SMILES notation for 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide?

The canonical SMILES for 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide is C=CCNC=O.CC.CCC.CCC(C)CC.CNC(C(=O)N1CCCC1C(=O)NCC(C)=O)C(C)(C)C.CO.

What is the InChIKey of 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide?

The InChIKey is RDBDYYACZGNSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3.C6H14.C4H7NO.C3H8.C2H6.CH4O/c1-10(19)9-17-13(20)11-7-6-8-18(11)14(21)12(16-5)15(2,3)4;1-4-6(3)5-2;1-2-3-5-4-6;1-3-2;2*1-2/h11-12,16H,6-9H2,1-5H3,(H,17,20);6H,4-5H2,1-3H3;2,4H,1,3H2,(H,5,6);3H2,1-2H3;1-2H3;2H,1H3.

What are the key properties of 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide?

1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide has a molecular weight of 574.89 g/mol, XLogP of 4.73, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,3-dimethyl-2-(methylamino)butanoyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide;ethane;methanol;3-methylpentane;propane;N-prop-2-enylformamide is sourced from PubChem (CID 143350939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).