N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane

C34H60N4O4 — CID 142110138

About N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane (PubChem CID 142110138) has the molecular formula C34H60N4O4 and a molecular weight of 588.88 g/mol. Its IUPAC name is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane
• PubChem CID: 142110138
• Molecular Formula: C34H60N4O4
• Molecular Weight: 588.88 g/mol
• Exact Mass: 588.46
• IUPAC Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane
• SMILES: C=C(NC(C(=C)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O)C1CCCCC1)OC1CCC(C)CC1.CC.CC
• InChI: InChI=1S/C30H48N4O4.2C2H6/c1-19-11-15-24(16-12-19)38-21(3)32-27(23-8-5-4-6-9-23)20(2)34-17-7-10-26(34)30(37)33-25(18-22-13-14-22)28(35)29(31)36;2*1-2/h19,22-27,32H,2-18H2,1H3,(H2,31,36)(H,33,37);2*1-2H3
• InChIKey: GVXRJCDYYJZXBU-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.88
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane?

The IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane (CID 142110138) is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane.

What is the SMILES notation for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane?

The canonical SMILES for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane is C=C(NC(C(=C)N1CCCC1C(=O)NC(CC1CC1)C(=O)C(N)=O)C1CCCCC1)OC1CCC(C)CC1.CC.CC.

What is the InChIKey of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane?

The InChIKey is GVXRJCDYYJZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N4O4.2C2H6/c1-19-11-15-24(16-12-19)38-21(3)32-27(23-8-5-4-6-9-23)20(2)34-17-7-10-26(34)30(37)33-25(18-22-13-14-22)28(35)29(31)36;2*1-2/h19,22-27,32H,2-18H2,1H3,(H2,31,36)(H,33,37);2*1-2H3.

What are the key properties of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane?

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane has a molecular weight of 588.88 g/mol, XLogP of 5.96, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[3-cyclohexyl-3-[1-(4-methylcyclohexyl)oxyethenylamino]prop-1-en-2-yl]pyrrolidine-2-carboxamide;ethane is sourced from PubChem (CID 142110138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).