26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide

C45H57N5O8 — CID 123189435

About 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide

26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide (PubChem CID 123189435) has the molecular formula C45H57N5O8 and a molecular weight of 795.98 g/mol. Its IUPAC name is 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide.

Molecular Properties

• Compound Name: 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide
• PubChem CID: 123189435
• Molecular Formula: C45H57N5O8
• Molecular Weight: 795.98 g/mol
• Exact Mass: 795.42
• IUPAC Name: 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide
• SMILES: COc1c2c(nc3ccccc13)OC1CC(C(=O)NC3(C(=O)NC(=O)C4CC4)CCC3C3CC3)N(C1)C(=O)C(C1CCCC1)NC(=O)OC1CCCC1CCC=CC2
• InChI: InChI=1S/C45H57N5O8/c1-56-38-31-14-7-8-16-34(31)46-41-32(38)15-4-2-3-10-27-13-9-17-36(27)58-44(55)47-37(28-11-5-6-12-28)42(53)50-25-30(57-41)24-35(50)40(52)49-45(23-22-33(45)26-18-19-26)43(54)48-39(51)29-20-21-29/h2,4,7-8,14,16,26-30,33,35-37H,3,5-6,9-13,15,17-25H2,1H3,(H,47,55)(H,49,52)(H,48,51,54)
• InChIKey: HCVUGCJYLXBADH-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 165.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.98
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide?

The IUPAC name of 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide (CID 123189435) is 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide.

What is the SMILES notation for 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide?

The canonical SMILES for 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide is COc1c2c(nc3ccccc13)OC1CC(C(=O)NC3(C(=O)NC(=O)C4CC4)CCC3C3CC3)N(C1)C(=O)C(C1CCCC1)NC(=O)OC1CCCC1CCC=CC2.

What is the InChIKey of 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide?

The InChIKey is HCVUGCJYLXBADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H57N5O8/c1-56-38-31-14-7-8-16-34(31)46-41-32(38)15-4-2-3-10-27-13-9-17-36(27)58-44(55)47-37(28-11-5-6-12-28)42(53)50-25-30(57-41)24-35(50)40(52)49-45(23-22-33(45)26-18-19-26)43(54)48-39(51)29-20-21-29/h2,4,7-8,14,16,26-30,33,35-37H,3,5-6,9-13,15,17-25H2,1H3,(H,47,55)(H,49,52)(H,48,51,54).

What are the key properties of 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide?

26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide has a molecular weight of 795.98 g/mol, XLogP of 5.67, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 26-cyclopentyl-N-[1-(cyclopropanecarbonylcarbamoyl)-2-cyclopropylcyclobutyl]-11-methoxy-24,27-dioxo-2,23-dioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxamide is sourced from PubChem (CID 123189435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).