N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane

C43H76N6O6S — CID 145398946

About N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane

N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane (PubChem CID 145398946) has the molecular formula C43H76N6O6S and a molecular weight of 805.18 g/mol. Its IUPAC name is N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane.

Molecular Properties

• Compound Name: N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane
• PubChem CID: 145398946
• Molecular Formula: C43H76N6O6S
• Molecular Weight: 805.18 g/mol
• Exact Mass: 804.55
• IUPAC Name: N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane
• SMILES: CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C)OC)N(C)C(=O)CNC=O.CNC(C)C(C)C.O=CNC(Cc1ccccc1)c1nccs1
• InChI: InChI=1S/C22H41N3O5.C12H12N2OS.C6H15N.C3H8/c1-8-16(4)21(24(5)20(28)13-23-14-26)18(29-6)12-19(27)25-11-9-10-17(25)22(30-7)15(2)3;15-9-14-11(12-13-6-7-16-12)8-10-4-2-1-3-5-10;1-5(2)6(3)7-4;1-3-2/h14-18,21-22H,8-13H2,1-7H3,(H,23,26);1-7,9,11H,8H2,(H,14,15);5-7H,1-4H3;3H2,1-2H3
• InChIKey: FIYDXISZPPWENB-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 142.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.18
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	3
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 N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane?

The IUPAC name of N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane (CID 145398946) is N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane.

What is the SMILES notation for N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane?

The canonical SMILES for N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane is CCC.CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C)OC)N(C)C(=O)CNC=O.CNC(C)C(C)C.O=CNC(Cc1ccccc1)c1nccs1.

What is the InChIKey of N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane?

The InChIKey is FIYDXISZPPWENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O5.C12H12N2OS.C6H15N.C3H8/c1-8-16(4)21(24(5)20(28)13-23-14-26)18(29-6)12-19(27)25-11-9-10-17(25)22(30-7)15(2)3;15-9-14-11(12-13-6-7-16-12)8-10-4-2-1-3-5-10;1-5(2)6(3)7-4;1-3-2/h14-18,21-22H,8-13H2,1-7H3,(H,23,26);1-7,9,11H,8H2,(H,14,15);5-7H,1-4H3;3H2,1-2H3.

What are the key properties of N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane?

N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane has a molecular weight of 805.18 g/mol, XLogP of 6.51, 20 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,3-dimethylbutan-2-amine;2-formamido-N-[3-methoxy-1-[2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N-methylacetamide;N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]formamide;propane is sourced from PubChem (CID 145398946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).