(14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone

C38H48N6O4 — CID 59538901

IUPAC(14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone
SMILESCc1c(C)c2c(C)c(C)c1CNC(=O)c1cccc(n1)C(=O)NCC1[C@H](C)C(C)C(CNC(=O)c3cccc(n3)C(=O)NC2)[C@H](C)[C@@H]1C
InChIInChI=1S/C38H48N6O4/c1-19-20(2)28-16-40-36(46)32-12-10-14-34(44-32)38(48)42-18-30-25(7)23(5)29(24(6)26(30)8)17-41-37(47)33-13-9-11-31(43-33)35(45)39-15-27(19)21(3)22(28)4/h9-14,19-22,27-28H,15-18H2,1-8H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)/t19-,20+,21+,22?,27?,28?/m0/s1
InChIKeyOTDYUWRTHFHWJQ-XRTQLYAQSA-N
MW652.84 g/mol
LogP4.83
Rot. Bonds

About (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone

(14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone (PubChem CID 59538901) has the molecular formula C38H48N6O4 and a molecular weight of 652.84 g/mol. Its IUPAC name is (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone.

Molecular Properties

Compound Name(14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone
PubChem CID59538901
Molecular FormulaC38H48N6O4
Molecular Weight652.84 g/mol
Exact Mass652.37
IUPAC Name(14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone
SMILESCc1c(C)c2c(C)c(C)c1CNC(=O)c1cccc(n1)C(=O)NCC1[C@H](C)C(C)C(CNC(=O)c3cccc(n3)C(=O)NC2)[C@H](C)[C@@H]1C
InChIInChI=1S/C38H48N6O4/c1-19-20(2)28-16-40-36(46)32-12-10-14-34(44-32)38(48)42-18-30-25(7)23(5)29(24(6)26(30)8)17-41-37(47)33-13-9-11-31(43-33)35(45)39-15-27(19)21(3)22(28)4/h9-14,19-22,27-28H,15-18H2,1-8H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)/t19-,20+,21+,22?,27?,28?/m0/s1
InChIKeyOTDYUWRTHFHWJQ-XRTQLYAQSA-N
XLogP4.83
TPSA142.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500652.84
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone with MolForge

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

Launch Full Analysis

Related Compounds

(5E,7E,20E,22E)-5,8,20,23-tetramethyl-3,10,18,25,31,32-hexazatricyclo[25.3.1.112,16]dotriaconta-1(31),5,7,12(32),13,15,20,22,27,29-decaene-2,11,17,26-tetrone
CID 172506847
15-methyl-3,11,22,30,45,52-hexazanonacyclo[30.6.6.613,20.15,9.124,28.014,19.033,38.039,44.046,51]dopentaconta-1(38),5(52),6,8,13,15,17,19,24,26,28(45),32,34,36,39,41,43,46,48,50-icosaene-4,10,23,29-tetrone
CID 89016818
3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone
CID 58271989
3,11,22,30,45-pentazanonacyclo[30.6.6.613,20.15,9.124,28.014,19.033,38.039,44.046,51]dopentaconta-1(38),5(52),6,8,13(51),14,16,18,20(46),24,26,28(45),32,34,36,39,41,43,47,49-icosaene-4,10,23,29-tetrone
CID 89016813
3,11,22,45,52-pentazanonacyclo[30.6.6.613,20.15,9.124,28.014,19.033,38.039,44.046,51]dopentaconta-1(38),5(52),6,8,13(51),14,16,18,20(46),24,26,28(45),32,34,36,39,41,43,47,49-icosaene-4,10,23,29-tetrone
CID 161455029
3,11,18,26,33,34-hexazatetracyclo[26.2.2.15,9.120,24]tetratriaconta-1(31),5,7,9(34),20(33),21,23,28(32),29-nonaene-4,10,19,25-tetrone
CID 58272049
copper 3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene-2,13-dione
CID 139245973
7,23-dimethyl-3,7,11,19,23,27,33,34-octazatricyclo[27.3.1.113,17]tetratriaconta-1(33),13(34),14,16,29,31-hexaene-2,12,18,28-tetrone
CID 101488986
3,7,11,18,26,33-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrone
CID 160779213
4-(2-methylphenyl)-2,3-dihydroisoindol-1-one
CID 172876033
4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one
CID 21365387
aziridin-2-one;naphthalene
CID 20975737

Frequently Asked Questions

What is the IUPAC name of (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone?
The IUPAC name of (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone (CID 59538901) is (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone.
What is the SMILES notation for (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone?
The canonical SMILES for (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone is Cc1c(C)c2c(C)c(C)c1CNC(=O)c1cccc(n1)C(=O)NCC1[C@H](C)C(C)C(CNC(=O)c3cccc(n3)C(=O)NC2)[C@H](C)[C@@H]1C.
What is the InChIKey of (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone?
The InChIKey is OTDYUWRTHFHWJQ-XRTQLYAQSA-N. The full InChI is InChI=1S/C38H48N6O4/c1-19-20(2)28-16-40-36(46)32-12-10-14-34(44-32)38(48)42-18-30-25(7)23(5)29(24(6)26(30)8)17-41-37(47)33-13-9-11-31(43-33)35(45)39-15-27(19)21(3)22(28)4/h9-14,19-22,27-28H,15-18H2,1-8H3,(H,39,45)(H,40,46)(H,41,47)(H,42,48)/t19-,20+,21+,22?,27?,28?/m0/s1.
What are the key properties of (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone?
(14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone has a molecular weight of 652.84 g/mol, XLogP of 4.83, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (14R,15S,34R)-14,15,29,30,31,32,34,35-octamethyl-3,11,18,26,33,36-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone is sourced from PubChem (CID 59538901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).