N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol

C38H59N5O7 — CID 143101571

About N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol (PubChem CID 143101571) has the molecular formula C38H59N5O7 and a molecular weight of 697.92 g/mol. Its IUPAC name is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol.

Molecular Properties

• Compound Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol
• PubChem CID: 143101571
• Molecular Formula: C38H59N5O7
• Molecular Weight: 697.92 g/mol
• Exact Mass: 697.44
• IUPAC Name: N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol
• SMILES: CC(C)(C)O.NC(=O)C(=O)C(CC1CC1)NC(=O)C1CCCN1C(=O)C(NC(=O)NC1(Cc2ccc(O)cc2)CCCCC1)C1CCCCC1
• InChI: InChI=1S/C34H49N5O6.C4H10O/c35-30(42)29(41)26(20-22-11-12-22)36-31(43)27-10-7-19-39(27)32(44)28(24-8-3-1-4-9-24)37-33(45)38-34(17-5-2-6-18-34)21-23-13-15-25(40)16-14-23;1-4(2,3)5/h13-16,22,24,26-28,40H,1-12,17-21H2,(H2,35,42)(H,36,43)(H2,37,38,45);5H,1-3H3
• InChIKey: ZXZPDKPCDGZWRU-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 191.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	697.92
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'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-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol?

The IUPAC name of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol (CID 143101571) is N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol.

What is the SMILES notation for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol?

The canonical SMILES for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol is CC(C)(C)O.NC(=O)C(=O)C(CC1CC1)NC(=O)C1CCCN1C(=O)C(NC(=O)NC1(Cc2ccc(O)cc2)CCCCC1)C1CCCCC1.

What is the InChIKey of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol?

The InChIKey is ZXZPDKPCDGZWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49N5O6.C4H10O/c35-30(42)29(41)26(20-22-11-12-22)36-31(43)27-10-7-19-39(27)32(44)28(24-8-3-1-4-9-24)37-33(45)38-34(17-5-2-6-18-34)21-23-13-15-25(40)16-14-23;1-4(2,3)5/h13-16,22,24,26-28,40H,1-12,17-21H2,(H2,35,42)(H,36,43)(H2,37,38,45);5H,1-3H3.

What are the key properties of N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol?

N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol has a molecular weight of 697.92 g/mol, XLogP of 3.99, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-1-[2-cyclohexyl-2-[[1-[(4-hydroxyphenyl)methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;2-methylpropan-2-ol is sourced from PubChem (CID 143101571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).