2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane

C31H64N4O7 — CID 144975194

About 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane

2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane (PubChem CID 144975194) has the molecular formula C31H64N4O7 and a molecular weight of 604.87 g/mol. Its IUPAC name is 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane.

Molecular Properties

• Compound Name: 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane
• PubChem CID: 144975194
• Molecular Formula: C31H64N4O7
• Molecular Weight: 604.87 g/mol
• Exact Mass: 604.48
• IUPAC Name: 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane
• SMILES: CC.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C=O)OC)N(C)C(=O)CN.CN[C@@H](C)C(=O)OC
• InChI: InChI=1S/C21H39N3O5.C5H11NO2.C3H8.C2H6/c1-7-14(2)20(23(4)19(27)12-22)17(28-5)11-18(26)24-10-8-9-16(24)21(29-6)15(3)13-25;1-4(6-2)5(7)8-3;1-3-2;1-2/h13-17,20-21H,7-12,22H2,1-6H3;4,6H,1-3H3;3H2,1-2H3;1-2H3/t;4-;;/m.0../s1
• InChIKey: FPGNJZAQGUKNMZ-HWBXBCIZSA-N
• XLogP: 3.27
• TPSA: 140.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.87
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane?

The IUPAC name of 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane (CID 144975194) is 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane.

What is the SMILES notation for 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane?

The canonical SMILES for 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane is CC.CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C=O)OC)N(C)C(=O)CN.CN[C@@H](C)C(=O)OC.

What is the InChIKey of 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane?

The InChIKey is FPGNJZAQGUKNMZ-HWBXBCIZSA-N. The full InChI is InChI=1S/C21H39N3O5.C5H11NO2.C3H8.C2H6/c1-7-14(2)20(23(4)19(27)12-22)17(28-5)11-18(26)24-10-8-9-16(24)21(29-6)15(3)13-25;1-4(6-2)5(7)8-3;1-3-2;1-2/h13-17,20-21H,7-12,22H2,1-6H3;4,6H,1-3H3;3H2,1-2H3;1-2H3/t;4-;;/m.0../s1.

What are the key properties of 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane?

2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane has a molecular weight of 604.87 g/mol, XLogP of 3.27, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-methoxy-1-[2-(1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;ethane;methyl (2S)-2-(methylamino)propanoate;propane is sourced from PubChem (CID 144975194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).