5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide

C38H47N13O4 — CID 137305587

IUPAC5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide
SMILESCCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCN(C)CCn1c(nc3cc(C(N)=O)ccc31)NC(O)c1cc(C)nn1CCCCC2
InChIInChI=1S/C38H47N13O4/c1-5-50-32-26(23(3)46-50)9-7-6-8-14-51-31(19-22(2)45-51)35(54)43-37-41-27-20-24(33(39)52)10-12-29(27)48(37)17-15-47(4)16-18-49-30-13-11-25(34(40)53)21-28(30)42-38(49)44-36(32)55/h10-13,19-21,35,54H,5-9,14-18H2,1-4H3,(H2,39,52)(H2,40,53)(H,41,43)(H,42,44,55)
InChIKeyFMTWRGMNPGLJJC-UHFFFAOYSA-N
MW749.88 g/mol
LogP3.33
Rot. Bonds3

About 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide

5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide (PubChem CID 137305587) has the molecular formula C38H47N13O4 and a molecular weight of 749.88 g/mol. Its IUPAC name is 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide.

Molecular Properties

Compound Name5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide
PubChem CID137305587
Molecular FormulaC38H47N13O4
Molecular Weight749.88 g/mol
Exact Mass749.39
IUPAC Name5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide
SMILESCCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCN(C)CCn1c(nc3cc(C(N)=O)ccc31)NC(O)c1cc(C)nn1CCCCC2
InChIInChI=1S/C38H47N13O4/c1-5-50-32-26(23(3)46-50)9-7-6-8-14-51-31(19-22(2)45-51)35(54)43-37-41-27-20-24(33(39)52)10-12-29(27)48(37)17-15-47(4)16-18-49-30-13-11-25(34(40)53)21-28(30)42-38(49)44-36(32)55/h10-13,19-21,35,54H,5-9,14-18H2,1-4H3,(H2,39,52)(H2,40,53)(H,41,43)(H,42,44,55)
InChIKeyFMTWRGMNPGLJJC-UHFFFAOYSA-N
XLogP3.33
TPSA222.06 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.88
LogP ≤ 53.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide?
The IUPAC name of 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide (CID 137305587) is 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide.
What is the SMILES notation for 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide?
The canonical SMILES for 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide is CCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCN(C)CCn1c(nc3cc(C(N)=O)ccc31)NC(O)c1cc(C)nn1CCCCC2.
What is the InChIKey of 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide?
The InChIKey is FMTWRGMNPGLJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H47N13O4/c1-5-50-32-26(23(3)46-50)9-7-6-8-14-51-31(19-22(2)45-51)35(54)43-37-41-27-20-24(33(39)52)10-12-29(27)48(37)17-15-47(4)16-18-49-30-13-11-25(34(40)53)21-28(30)42-38(49)44-36(32)55/h10-13,19-21,35,54H,5-9,14-18H2,1-4H3,(H2,39,52)(H2,40,53)(H,41,43)(H,42,44,55).
What are the key properties of 5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide?
5-ethyl-19-hydroxy-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide has a molecular weight of 749.88 g/mol, XLogP of 3.33, 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-7,16,32-trimethyl-3-oxo-2,5,6,14,15,20,22,29,32,35,42-undecazaheptacyclo[33.7.0.04,8.014,18.021,29.023,28.036,41]dotetraconta-1(42),4(8),6,15,17,21,23(28),24,26,36(41),37,39-dodecaene-25,39-dicarboxamide is sourced from PubChem (CID 137305587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).