6,13-bis(3-methylbutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

C24H26N2O4 — CID 101363794

IUPAC6,13-bis(3-methylbutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCC(C)CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCC(C)C)C3=O
InChIInChI=1S/C24H26N2O4/c1-13(2)9-11-25-21(27)15-5-7-17-20-18(8-6-16(19(15)20)22(25)28)24(30)26(23(17)29)12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyYUYYUKSPPXDTKW-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.12
Rot. Bonds6

About 6,13-bis(3-methylbutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

6,13-bis(3-methylbutyl)-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 101363794) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 6,13-bis(3-methylbutyl)-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 Name6,13-bis(3-methylbutyl)-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 CID101363794
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name6,13-bis(3-methylbutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
SMILESCC(C)CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCC(C)C)C3=O
InChIInChI=1S/C24H26N2O4/c1-13(2)9-11-25-21(27)15-5-7-17-20-18(8-6-16(19(15)20)22(25)28)24(30)26(23(17)29)12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyYUYYUKSPPXDTKW-UHFFFAOYSA-N
XLogP4.12
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,13-bis(3-methylbutyl)-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 6,13-bis(3-methylbutyl)-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 6,13-bis(3-methylbutyl)-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 101363794) is 6,13-bis(3-methylbutyl)-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 6,13-bis(3-methylbutyl)-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 6,13-bis(3-methylbutyl)-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 CC(C)CCN1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(CCC(C)C)C3=O.
What is the InChIKey of 6,13-bis(3-methylbutyl)-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 YUYYUKSPPXDTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-13(2)9-11-25-21(27)15-5-7-17-20-18(8-6-16(19(15)20)22(25)28)24(30)26(23(17)29)12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 6,13-bis(3-methylbutyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone?
6,13-bis(3-methylbutyl)-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 406.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-bis(3-methylbutyl)-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 101363794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).