9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione

C21H25N3O3 — CID 175857012

IUPAC9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione
SMILESCC1(C)CN2c3ccccc3C3C(=O)N(C4CCCCC4)C(=O)C3N2C1=O
InChIInChI=1S/C21H25N3O3/c1-21(2)12-22-15-11-7-6-10-14(15)16-17(24(22)20(21)27)19(26)23(18(16)25)13-8-4-3-5-9-13/h6-7,10-11,13,16-17H,3-5,8-9,12H2,1-2H3
InChIKeyXEPVIBDZYCRTBR-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.44
Rot. Bonds1

About 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione

9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione (PubChem CID 175857012) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione.

Molecular Properties

Compound Name9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione
PubChem CID175857012
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione
SMILESCC1(C)CN2c3ccccc3C3C(=O)N(C4CCCCC4)C(=O)C3N2C1=O
InChIInChI=1S/C21H25N3O3/c1-21(2)12-22-15-11-7-6-10-14(15)16-17(24(22)20(21)27)19(26)23(18(16)25)13-8-4-3-5-9-13/h6-7,10-11,13,16-17H,3-5,8-9,12H2,1-2H3
InChIKeyXEPVIBDZYCRTBR-UHFFFAOYSA-N
XLogP2.44
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione?
The IUPAC name of 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione (CID 175857012) is 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione.
What is the SMILES notation for 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione?
The canonical SMILES for 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione is CC1(C)CN2c3ccccc3C3C(=O)N(C4CCCCC4)C(=O)C3N2C1=O.
What is the InChIKey of 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione?
The InChIKey is XEPVIBDZYCRTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-21(2)12-22-15-11-7-6-10-14(15)16-17(24(22)20(21)27)19(26)23(18(16)25)13-8-4-3-5-9-13/h6-7,10-11,13,16-17H,3-5,8-9,12H2,1-2H3.
What are the key properties of 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione?
9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione has a molecular weight of 367.45 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-4,4-dimethyl-2,6,9-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),12,14-triene-5,8,10-trione is sourced from PubChem (CID 175857012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).