16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene

C25H25NO3 — CID 59573180

IUPAC16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene
SMILESCc1cc(C(C)(C)C)cc(C)c1N1c2ccoc2Oc2oc3c(C)cccc3c21
InChIInChI=1S/C25H25NO3/c1-14-8-7-9-18-21-24(28-22(14)18)29-23-19(10-11-27-23)26(21)20-15(2)12-17(13-16(20)3)25(4,5)6/h7-13H,1-6H3
InChIKeyHLUGXSNGWZIMLP-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.82
Rot. Bonds1

About 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene

16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene (PubChem CID 59573180) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene.

Molecular Properties

Compound Name16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene
PubChem CID59573180
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene
SMILESCc1cc(C(C)(C)C)cc(C)c1N1c2ccoc2Oc2oc3c(C)cccc3c21
InChIInChI=1S/C25H25NO3/c1-14-8-7-9-18-21-24(28-22(14)18)29-23-19(10-11-27-23)26(21)20-15(2)12-17(13-16(20)3)25(4,5)6/h7-13H,1-6H3
InChIKeyHLUGXSNGWZIMLP-UHFFFAOYSA-N
XLogP7.82
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene?
The IUPAC name of 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene (CID 59573180) is 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene.
What is the SMILES notation for 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene?
The canonical SMILES for 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene is Cc1cc(C(C)(C)C)cc(C)c1N1c2ccoc2Oc2oc3c(C)cccc3c21.
What is the InChIKey of 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene?
The InChIKey is HLUGXSNGWZIMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-14-8-7-9-18-21-24(28-22(14)18)29-23-19(10-11-27-23)26(21)20-15(2)12-17(13-16(20)3)25(4,5)6/h7-13H,1-6H3.
What are the key properties of 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene?
16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene has a molecular weight of 387.48 g/mol, XLogP of 7.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene is sourced from PubChem (CID 59573180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).