6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C26H26N2O4 — CID 59469708

IUPAC6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCC1CCC(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(C2CCCC2)C4=O)CC1
InChIInChI=1S/C26H26N2O4/c1-14-6-8-16(9-7-14)28-25(31)19-12-10-17-21-18(11-13-20(22(19)21)26(28)32)24(30)27(23(17)29)15-4-2-3-5-15/h10-16H,2-9H2,1H3
InChIKeySOPMSJGVPTZOPC-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.55
Rot. Bonds2

About 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (PubChem CID 59469708) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.

Molecular Properties

Compound Name6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
PubChem CID59469708
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCC1CCC(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(C2CCCC2)C4=O)CC1
InChIInChI=1S/C26H26N2O4/c1-14-6-8-16(9-7-14)28-25(31)19-12-10-17-21-18(11-13-20(22(19)21)26(28)32)24(30)27(23(17)29)15-4-2-3-5-15/h10-16H,2-9H2,1H3
InChIKeySOPMSJGVPTZOPC-UHFFFAOYSA-N
XLogP4.55
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The IUPAC name of 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone (CID 59469708) is 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone.
What is the SMILES notation for 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The canonical SMILES for 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is CC1CCC(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(C2CCCC2)C4=O)CC1.
What is the InChIKey of 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
The InChIKey is SOPMSJGVPTZOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-14-6-8-16(9-7-14)28-25(31)19-12-10-17-21-18(11-13-20(22(19)21)26(28)32)24(30)27(23(17)29)15-4-2-3-5-15/h10-16H,2-9H2,1H3.
What are the key properties of 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone has a molecular weight of 430.50 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-13-(4-methylcyclohexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone is sourced from PubChem (CID 59469708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).