(13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone

C23H22N2O4 — CID 11773704

IUPAC(13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone
SMILESCC1=C2c3ccccc3CCC23[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1[C@@H]1C(=O)N(C)C(=O)[C@@H]13
InChIInChI=1S/C23H22N2O4/c1-10-13-14-17(21(28)24(2)19(14)26)23(18-15(13)20(27)25(3)22(18)29)9-8-11-6-4-5-7-12(11)16(10)23/h4-7,13-15,17-18H,8-9H2,1-3H3/t13?,14-,15+,17+,18-,23?
InChIKeyNNLHBGUGDGIOAP-CSTCFODPSA-N
MW390.44 g/mol
LogP1.50
Rot. Bonds

About (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone

(13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone (PubChem CID 11773704) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone.

Molecular Properties

Compound Name(13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone
PubChem CID11773704
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone
SMILESCC1=C2c3ccccc3CCC23[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1[C@@H]1C(=O)N(C)C(=O)[C@@H]13
InChIInChI=1S/C23H22N2O4/c1-10-13-14-17(21(28)24(2)19(14)26)23(18-15(13)20(27)25(3)22(18)29)9-8-11-6-4-5-7-12(11)16(10)23/h4-7,13-15,17-18H,8-9H2,1-3H3/t13?,14-,15+,17+,18-,23?
InChIKeyNNLHBGUGDGIOAP-CSTCFODPSA-N
XLogP1.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone?
The IUPAC name of (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone (CID 11773704) is (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone.
What is the SMILES notation for (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone?
The canonical SMILES for (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone is CC1=C2c3ccccc3CCC23[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1[C@@H]1C(=O)N(C)C(=O)[C@@H]13.
What is the InChIKey of (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone?
The InChIKey is NNLHBGUGDGIOAP-CSTCFODPSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-10-13-14-17(21(28)24(2)19(14)26)23(18-15(13)20(27)25(3)22(18)29)9-8-11-6-4-5-7-12(11)16(10)23/h4-7,13-15,17-18H,8-9H2,1-3H3/t13?,14-,15+,17+,18-,23?.
What are the key properties of (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone?
(13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone has a molecular weight of 390.44 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (13S,17S,18R,22R)-11,15,20-trimethyl-15,20-diazahexacyclo[10.5.5.01,10.04,9.013,17.018,22]docosa-4,6,8,10-tetraene-14,16,19,21-tetrone is sourced from PubChem (CID 11773704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).