24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione

C52H70N2O5 — CID 162987066

About 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione

24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione (PubChem CID 162987066) has the molecular formula C52H70N2O5 and a molecular weight of 803.14 g/mol. Its IUPAC name is 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione.

Molecular Properties

• Compound Name: 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione
• PubChem CID: 162987066
• Molecular Formula: C52H70N2O5
• Molecular Weight: 803.14 g/mol
• Exact Mass: 802.53
• IUPAC Name: 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione
• SMILES: Cc1cc(Cc2cn3c4c(c[nH]c24)CCC(C)(CC(O)C2OC2(C)C)C2=C4C(C3)C(O)C3C5(C)CCC(=O)C(C)(C)C5CCC3(C)C4(C)CC2=O)cc(C2CCCC2)c1
• InChI: InChI=1S/C52H70N2O5/c1-29-20-30(22-33(21-29)31-12-10-11-13-31)23-34-27-54-28-35-40-41(49(6,24-37(56)46-48(4,5)59-46)17-14-32-26-53-42(34)43(32)54)36(55)25-52(40,9)51(8)19-15-38-47(2,3)39(57)16-18-50(38,7)45(51)44(35)58/h20-22,26-27,31,35,37-38,44-46,53,56,58H,10-19,23-25,28H2,1-9H3
• InChIKey: IXOBNVLLZGCEFG-UHFFFAOYSA-N
• XLogP: 10.10
• TPSA: 107.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.14
LogP ≤ 5	10.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione?

The IUPAC name of 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione (CID 162987066) is 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione.

What is the SMILES notation for 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione?

The canonical SMILES for 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione is Cc1cc(Cc2cn3c4c(c[nH]c24)CCC(C)(CC(O)C2OC2(C)C)C2=C4C(C3)C(O)C3C5(C)CCC(=O)C(C)(C)C5CCC3(C)C4(C)CC2=O)cc(C2CCCC2)c1.

What is the InChIKey of 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione?

The InChIKey is IXOBNVLLZGCEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H70N2O5/c1-29-20-30(22-33(21-29)31-12-10-11-13-31)23-34-27-54-28-35-40-41(49(6,24-37(56)46-48(4,5)59-46)17-14-32-26-53-42(34)43(32)54)36(55)25-52(40,9)51(8)19-15-38-47(2,3)39(57)16-18-50(38,7)45(51)44(35)58/h20-22,26-27,31,35,37-38,44-46,53,56,58H,10-19,23-25,28H2,1-9H3.

What are the key properties of 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione?

24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione has a molecular weight of 803.14 g/mol, XLogP of 10.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 24-[(3-cyclopentyl-5-methylphenyl)methyl]-17-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-2-hydroxy-4,8,8,12,13,17-hexamethyl-22,26-diazaheptacyclo[14.11.1.120,23.03,12.04,9.013,28.026,29]nonacosa-16(28),20,23(29),24-tetraene-7,15-dione is sourced from PubChem (CID 162987066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).