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

C26H27NO3 — CID 59572446

IUPAC16-(4-tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene
SMILESCc1cc2c(o1)Oc1oc3c(C)cccc3c1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C26H27NO3/c1-14-9-8-10-19-22-25(29-23(14)19)30-24-20(13-17(4)28-24)27(22)21-15(2)11-18(12-16(21)3)26(5,6)7/h8-13H,1-7H3
InChIKeySFIZPSLKUONFJQ-UHFFFAOYSA-N
MW401.51 g/mol
LogP8.13
Rot. Bonds1

About 16-(4-tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-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)-6,13-dimethyl-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 59572446) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 16-(4-tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-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)-6,13-dimethyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene
PubChem CID59572446
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name16-(4-tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene
SMILESCc1cc2c(o1)Oc1oc3c(C)cccc3c1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C26H27NO3/c1-14-9-8-10-19-22-25(29-23(14)19)30-24-20(13-17(4)28-24)27(22)21-15(2)11-18(12-16(21)3)26(5,6)7/h8-13H,1-7H3
InChIKeySFIZPSLKUONFJQ-UHFFFAOYSA-N
XLogP8.13
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-(4-tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-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)-6,13-dimethyl-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)-6,13-dimethyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene (CID 59572446) is 16-(4-tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-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)-6,13-dimethyl-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)-6,13-dimethyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,11(15),13-hexaene is Cc1cc2c(o1)Oc1oc3c(C)cccc3c1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 16-(4-tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-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 SFIZPSLKUONFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO3/c1-14-9-8-10-19-22-25(29-23(14)19)30-24-20(13-17(4)28-24)27(22)21-15(2)11-18(12-16(21)3)26(5,6)7/h8-13H,1-7H3.
What are the key properties of 16-(4-tert-butyl-2,6-dimethylphenyl)-6,13-dimethyl-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)-6,13-dimethyl-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 401.51 g/mol, XLogP of 8.13, 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)-6,13-dimethyl-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 59572446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).