[(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane

C37H69N5O8 — CID 143353295

About [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane

[(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane (PubChem CID 143353295) has the molecular formula C37H69N5O8 and a molecular weight of 711.99 g/mol. Its IUPAC name is [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane.

Molecular Properties

• Compound Name: [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane
• PubChem CID: 143353295
• Molecular Formula: C37H69N5O8
• Molecular Weight: 711.99 g/mol
• Exact Mass: 711.51
• IUPAC Name: [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane
• SMILES: C=CO/C(=C\C)COC(=O)CNC(=O)NC(C(=O)N1CCC(C(C)C)C1C)C(C)(C)C.CC(C)C.CC(NC=O)C(=O)C(N)=O.CCC(C)C
• InChI: InChI=1S/C23H39N3O5.C5H8N2O3.C5H12.C4H10/c1-9-17(30-10-2)14-31-19(27)13-24-22(29)25-20(23(6,7)8)21(28)26-12-11-18(15(3)4)16(26)5;1-3(7-2-8)4(9)5(6)10;1-4-5(2)3;1-4(2)3/h9-10,15-16,18,20H,2,11-14H2,1,3-8H3,(H2,24,25,29);2-3H,1H3,(H2,6,10)(H,7,8);5H,4H2,1-3H3;4H,1-3H3/b17-9-
• InChIKey: KXUHEAFHKXWEHA-LZSDIBISSA-N
• XLogP: 5.09
• TPSA: 186.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.99
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane?

The IUPAC name of [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane (CID 143353295) is [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane.

What is the SMILES notation for [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane?

The canonical SMILES for [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane is C=CO/C(=C\C)COC(=O)CNC(=O)NC(C(=O)N1CCC(C(C)C)C1C)C(C)(C)C.CC(C)C.CC(NC=O)C(=O)C(N)=O.CCC(C)C.

What is the InChIKey of [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane?

The InChIKey is KXUHEAFHKXWEHA-LZSDIBISSA-N. The full InChI is InChI=1S/C23H39N3O5.C5H8N2O3.C5H12.C4H10/c1-9-17(30-10-2)14-31-19(27)13-24-22(29)25-20(23(6,7)8)21(28)26-12-11-18(15(3)4)16(26)5;1-3(7-2-8)4(9)5(6)10;1-4-5(2)3;1-4(2)3/h9-10,15-16,18,20H,2,11-14H2,1,3-8H3,(H2,24,25,29);2-3H,1H3,(H2,6,10)(H,7,8);5H,4H2,1-3H3;4H,1-3H3/b17-9-;;;.

What are the key properties of [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane?

[(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane has a molecular weight of 711.99 g/mol, XLogP of 5.09, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-2-ethenoxybut-2-enyl] 2-[[3,3-dimethyl-1-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)-1-oxobutan-2-yl]carbamoylamino]acetate;3-formamido-2-oxobutanamide;2-methylbutane;2-methylpropane is sourced from PubChem (CID 143353295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).