(8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide

C37H54N8O5Si — CID 174156348

About (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide

(8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide (PubChem CID 174156348) has the molecular formula C37H54N8O5Si and a molecular weight of 718.98 g/mol. Its IUPAC name is (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide.

Molecular Properties

• Compound Name: (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide
• PubChem CID: 174156348
• Molecular Formula: C37H54N8O5Si
• Molecular Weight: 718.98 g/mol
• Exact Mass: 718.40
• IUPAC Name: (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide
• SMILES: CC(C)Oc1nn(CCO[Si](C)(C)C(C)(C)C)c2c1C=Cc1nn(C3CCCCO3)c3ccc(cc13)-c1cnn(C)c1OC(C(N)=O)CN(C)C2
• InChI: InChI=1S/C37H54N8O5Si/c1-24(2)49-35-26-14-15-29-27-20-25(13-16-30(27)45(40-29)33-12-10-11-18-47-33)28-21-39-43(7)36(28)50-32(34(38)46)23-42(6)22-31(26)44(41-35)17-19-48-51(8,9)37(3,4)5/h13-16,20-21,24,32-33H,10-12,17-19,22-23H2,1-9H3,(H2,38,46)
• InChIKey: MUJIELBNUWSYNY-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 136.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	718.98
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide?

The IUPAC name of (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide (CID 174156348) is (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide.

What is the SMILES notation for (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide?

The canonical SMILES for (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide is CC(C)Oc1nn(CCO[Si](C)(C)C(C)(C)C)c2c1C=Cc1nn(C3CCCCO3)c3ccc(cc13)-c1cnn(C)c1OC(C(N)=O)CN(C)C2.

What is the InChIKey of (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide?

The InChIKey is MUJIELBNUWSYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H54N8O5Si/c1-24(2)49-35-26-14-15-29-27-20-25(13-16-30(27)45(40-29)33-12-10-11-18-47-33)28-21-39-43(7)36(28)50-32(34(38)46)23-42(6)22-31(26)44(41-35)17-19-48-51(8,9)37(3,4)5/h13-16,20-21,24,32-33H,10-12,17-19,22-23H2,1-9H3,(H2,38,46).

What are the key properties of (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide?

(8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide has a molecular weight of 718.98 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-13-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5,10-dimethyl-21-(oxan-2-yl)-15-propan-2-yloxy-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19,22(26),23-nonaene-8-carboxamide is sourced from PubChem (CID 174156348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).