(10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

C23H26N2O3 — CID 98446854

IUPAC(10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
SMILESCC(=O)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2C=Cc3cc(C)ccc3N21
InChIInChI=1S/C23H26N2O3/c1-13-8-10-17-15(12-13)9-11-18-19-20(21(14(2)26)25(17)18)23(28)24(22(19)27)16-6-4-3-5-7-16/h8-12,16,18-21H,3-7H2,1-2H3/t18-,19+,20-,21-/m0/s1
InChIKeyWIXZKTFRHYZACG-WOZUAGRISA-N
MW378.47 g/mol
LogP3.10
Rot. Bonds2

About (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione

(10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione (PubChem CID 98446854) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.

Molecular Properties

Compound Name(10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
PubChem CID98446854
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
SMILESCC(=O)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2C=Cc3cc(C)ccc3N21
InChIInChI=1S/C23H26N2O3/c1-13-8-10-17-15(12-13)9-11-18-19-20(21(14(2)26)25(17)18)23(28)24(22(19)27)16-6-4-3-5-7-16/h8-12,16,18-21H,3-7H2,1-2H3/t18-,19+,20-,21-/m0/s1
InChIKeyWIXZKTFRHYZACG-WOZUAGRISA-N
XLogP3.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The IUPAC name of (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione (CID 98446854) is (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione.
What is the SMILES notation for (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The canonical SMILES for (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione is CC(=O)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2C=Cc3cc(C)ccc3N21.
What is the InChIKey of (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
The InChIKey is WIXZKTFRHYZACG-WOZUAGRISA-N. The full InChI is InChI=1S/C23H26N2O3/c1-13-8-10-17-15(12-13)9-11-18-19-20(21(14(2)26)25(17)18)23(28)24(22(19)27)16-6-4-3-5-7-16/h8-12,16,18-21H,3-7H2,1-2H3/t18-,19+,20-,21-/m0/s1.
What are the key properties of (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione?
(10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione has a molecular weight of 378.47 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11S,15S,16R)-16-acetyl-13-cyclohexyl-5-methyl-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione is sourced from PubChem (CID 98446854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).