(19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

C38H38N2O4Si — CID 167423937

About (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione

(19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione (PubChem CID 167423937) has the molecular formula C38H38N2O4Si and a molecular weight of 614.82 g/mol. Its IUPAC name is (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione.

Molecular Properties

• Compound Name: (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
• PubChem CID: 167423937
• Molecular Formula: C38H38N2O4Si
• Molecular Weight: 614.82 g/mol
• Exact Mass: 614.26
• IUPAC Name: (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
• SMILES: CCc1c2c(nc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@H]3CC
• InChI: InChI=1S/C38H38N2O4Si/c1-6-27-30-20-24(44-45(38(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26)18-19-33(30)39-35-31(27)22-40-34(35)21-29-28(7-2)37(42)43-23-32(29)36(40)41/h8-21,28H,6-7,22-23H2,1-5H3/t28-/m1/s1
• InChIKey: NYQFYHYHVFTMII-MUUNZHRXSA-N
• XLogP: 6.48
• TPSA: 70.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.82
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?

The IUPAC name of (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione (CID 167423937) is (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione.

What is the SMILES notation for (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?

The canonical SMILES for (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione is CCc1c2c(nc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@H]3CC.

What is the InChIKey of (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?

The InChIKey is NYQFYHYHVFTMII-MUUNZHRXSA-N. The full InChI is InChI=1S/C38H38N2O4Si/c1-6-27-30-20-24(44-45(38(3,4)5,25-14-10-8-11-15-25)26-16-12-9-13-17-26)18-19-33(30)39-35-31(27)22-40-34(35)21-29-28(7-2)37(42)43-23-32(29)36(40)41/h8-21,28H,6-7,22-23H2,1-5H3/t28-/m1/s1.

What are the key properties of (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione?

(19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione has a molecular weight of 614.82 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (19R)-7-[tert-butyl(diphenyl)silyl]oxy-10,19-diethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 167423937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).