(19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

C32H28N2O7 — CID 155302574

About (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

(19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione (PubChem CID 155302574) has the molecular formula C32H28N2O7 and a molecular weight of 552.58 g/mol. Its IUPAC name is (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione.

Molecular Properties

• Compound Name: (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
• PubChem CID: 155302574
• Molecular Formula: C32H28N2O7
• Molecular Weight: 552.58 g/mol
• Exact Mass: 552.19
• IUPAC Name: (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
• SMILES: CC[C@@]1(C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4cc5cc(OC)cc(OC)c5o4)ccc3nc2-1
• InChI: InChI=1S/C32H28N2O7/c1-5-32(2)24-13-26-28-19(14-34(26)30(35)23(24)16-40-31(32)36)8-17-9-20(6-7-25(17)33-28)39-15-22-11-18-10-21(37-3)12-27(38-4)29(18)41-22/h6-13H,5,14-16H2,1-4H3/t32-/m1/s1
• InChIKey: WGJDYGGJCRJQDB-JGCGQSQUSA-N
• XLogP: 5.49
• TPSA: 102.02 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.58
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione?

The IUPAC name of (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione (CID 155302574) is (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione.

What is the SMILES notation for (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione?

The canonical SMILES for (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione is CC[C@@]1(C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCc4cc5cc(OC)cc(OC)c5o4)ccc3nc2-1.

What is the InChIKey of (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione?

The InChIKey is WGJDYGGJCRJQDB-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H28N2O7/c1-5-32(2)24-13-26-28-19(14-34(26)30(35)23(24)16-40-31(32)36)8-17-9-20(6-7-25(17)33-28)39-15-22-11-18-10-21(37-3)12-27(38-4)29(18)41-22/h6-13H,5,14-16H2,1-4H3/t32-/m1/s1.

What are the key properties of (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione?

(19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione has a molecular weight of 552.58 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (19R)-7-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]-19-ethyl-19-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione is sourced from PubChem (CID 155302574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).