5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide

C39H47N13O4 — CID 145380519

About 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide

5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide (PubChem CID 145380519) has the molecular formula C39H47N13O4 and a molecular weight of 761.89 g/mol. Its IUPAC name is 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide
• PubChem CID: 145380519
• Molecular Formula: C39H47N13O4
• Molecular Weight: 761.89 g/mol
• Exact Mass: 761.39
• IUPAC Name: 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide
• SMILES: CCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCCCn1c(nc3c(N4CNCC4=O)cccc31)NC(O)c1cc(C)nn1CCCCC2
• InChI: InChI=1S/C39H47N13O4/c1-4-51-34-26(24(3)47-51)11-6-5-7-18-52-31(19-23(2)46-52)36(55)44-39-43-33-29(12-10-13-30(33)50-22-41-21-32(50)53)49(39)17-9-8-16-48-28-15-14-25(35(40)54)20-27(28)42-38(48)45-37(34)56/h10,12-15,19-20,36,41,55H,4-9,11,16-18,21-22H2,1-3H3,(H2,40,54)(H,43,44)(H,42,45,56)
• InChIKey: OFZDZAMHMWFRRT-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 208.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.89
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide?

The IUPAC name of 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide (CID 145380519) is 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide.

What is the SMILES notation for 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide?

The canonical SMILES for 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide is CCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCCCn1c(nc3c(N4CNCC4=O)cccc31)NC(O)c1cc(C)nn1CCCCC2.

What is the InChIKey of 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide?

The InChIKey is OFZDZAMHMWFRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47N13O4/c1-4-51-34-26(24(3)47-51)11-6-5-7-18-52-31(19-23(2)46-52)36(55)44-39-43-33-29(12-10-13-30(33)50-22-41-21-32(50)53)49(39)17-9-8-16-48-28-15-14-25(35(40)54)20-27(28)42-38(48)45-37(34)56/h10,12-15,19-20,36,41,55H,4-9,11,16-18,21-22H2,1-3H3,(H2,40,54)(H,43,44)(H,42,45,56).

What are the key properties of 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide?

5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide has a molecular weight of 761.89 g/mol, XLogP of 3.97, 3 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-19-hydroxy-7,16-dimethyl-3-oxo-24-(5-oxoimidazolidin-1-yl)-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-38-carboxamide is sourced from PubChem (CID 145380519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).