ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate

C36H59N5O7 — CID 143359241

About ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate

ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate (PubChem CID 143359241) has the molecular formula C36H59N5O7 and a molecular weight of 673.90 g/mol. Its IUPAC name is ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
• PubChem CID: 143359241
• Molecular Formula: C36H59N5O7
• Molecular Weight: 673.90 g/mol
• Exact Mass: 673.44
• IUPAC Name: ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate
• SMILES: C/C=C\C(=C/C)COC(=O)C1(NC(=O)NC(C(=O)N2CCCC2C(=O)NC(CC2CCC2)C(=O)C(N)=O)C(C)(C)C)CCCCC1.CC
• InChI: InChI=1S/C34H53N5O7.C2H6/c1-6-13-22(7-2)21-46-31(44)34(17-9-8-10-18-34)38-32(45)37-27(33(3,4)5)30(43)39-19-12-16-25(39)29(42)36-24(26(40)28(35)41)20-23-14-11-15-23;1-2/h6-7,13,23-25,27H,8-12,14-21H2,1-5H3,(H2,35,41)(H,36,42)(H2,37,38,45);1-2H3/b13-6-,22-7+
• InChIKey: HYBQACXKYZUIAR-WGBOVZLGSA-N
• XLogP: 4.22
• TPSA: 177.00 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	673.90
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?

The IUPAC name of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate (CID 143359241) is ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate.

What is the SMILES notation for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?

The canonical SMILES for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate is C/C=C\C(=C/C)COC(=O)C1(NC(=O)NC(C(=O)N2CCCC2C(=O)NC(CC2CCC2)C(=O)C(N)=O)C(C)(C)C)CCCCC1.CC.

What is the InChIKey of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?

The InChIKey is HYBQACXKYZUIAR-WGBOVZLGSA-N. The full InChI is InChI=1S/C34H53N5O7.C2H6/c1-6-13-22(7-2)21-46-31(44)34(17-9-8-10-18-34)38-32(45)37-27(33(3,4)5)30(43)39-19-12-16-25(39)29(42)36-24(26(40)28(35)41)20-23-14-11-15-23;1-2/h6-7,13,23-25,27H,8-12,14-21H2,1-5H3,(H2,35,41)(H,36,42)(H2,37,38,45);1-2H3/b13-6-,22-7+;.

What are the key properties of ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate?

ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate has a molecular weight of 673.90 g/mol, XLogP of 4.22, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[(Z,2E)-2-ethylidenepent-3-enyl] 1-[[1-[2-[(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 143359241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).