2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene

C41H75N7O7 — CID 144975478

About 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene

2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene (PubChem CID 144975478) has the molecular formula C41H75N7O7 and a molecular weight of 778.09 g/mol. Its IUPAC name is 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene.

Molecular Properties

• Compound Name: 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene
• PubChem CID: 144975478
• Molecular Formula: C41H75N7O7
• Molecular Weight: 778.09 g/mol
• Exact Mass: 777.57
• IUPAC Name: 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene
• SMILES: CCC.CCC(C)C(C(CC)OC)N(C)C(=O)C/N=C(\N(C)C)N1CCNCC1.COC(C(C)C(=O)NCC(=O)O)C1CCCN1C=O.Cc1ccccc1
• InChI: InChI=1S/C19H39N5O2.C12H20N2O5.C7H8.C3H8/c1-8-15(3)18(16(9-2)26-7)23(6)17(25)14-21-19(22(4)5)24-12-10-20-11-13-24;1-8(12(18)13-6-10(16)17)11(19-2)9-4-3-5-14(9)7-15;1-7-5-3-2-4-6-7;1-3-2/h15-16,18,20H,8-14H2,1-7H3;7-9,11H,3-6H2,1-2H3,(H,13,18)(H,16,17);2-6H,1H3;3H2,1-2H3/b21-19+
• InChIKey: FCIXFPIZPZQNFX-JEJIUEGPSA-N
• XLogP: 3.98
• TPSA: 156.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	778.09
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene?

The IUPAC name of 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene (CID 144975478) is 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene.

What is the SMILES notation for 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene?

The canonical SMILES for 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene is CCC.CCC(C)C(C(CC)OC)N(C)C(=O)C/N=C(\N(C)C)N1CCNCC1.COC(C(C)C(=O)NCC(=O)O)C1CCCN1C=O.Cc1ccccc1.

What is the InChIKey of 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene?

The InChIKey is FCIXFPIZPZQNFX-JEJIUEGPSA-N. The full InChI is InChI=1S/C19H39N5O2.C12H20N2O5.C7H8.C3H8/c1-8-15(3)18(16(9-2)26-7)23(6)17(25)14-21-19(22(4)5)24-12-10-20-11-13-24;1-8(12(18)13-6-10(16)17)11(19-2)9-4-3-5-14(9)7-15;1-7-5-3-2-4-6-7;1-3-2/h15-16,18,20H,8-14H2,1-7H3;7-9,11H,3-6H2,1-2H3,(H,13,18)(H,16,17);2-6H,1H3;3H2,1-2H3/b21-19+;;;.

What are the key properties of 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene?

2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene has a molecular weight of 778.09 g/mol, XLogP of 3.98, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[dimethylamino(piperazin-1-yl)methylidene]amino]-N-(3-methoxy-5-methylheptan-4-yl)-N-methylacetamide;2-[[3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl]amino]acetic acid;propane;toluene is sourced from PubChem (CID 144975478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).