16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene

C25H25NO3 — CID 59572878

IUPAC16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene
SMILESCc1ccc2c3c(oc2c1)Oc1occc1N3c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C25H25NO3/c1-14-7-8-18-20(11-14)28-24-22(18)26(19-9-10-27-23(19)29-24)21-15(2)12-17(13-16(21)3)25(4,5)6/h7-13H,1-6H3
InChIKeySNGHBOJOBHISLI-UHFFFAOYSA-N
MW387.48 g/mol
LogP7.82
Rot. Bonds1

About 16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene

16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene (PubChem CID 59572878) 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)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene.

Molecular Properties

Compound Name16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene
PubChem CID59572878
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene
SMILESCc1ccc2c3c(oc2c1)Oc1occc1N3c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C25H25NO3/c1-14-7-8-18-20(11-14)28-24-22(18)26(19-9-10-27-23(19)29-24)21-15(2)12-17(13-16(21)3)25(4,5)6/h7-13H,1-6H3
InChIKeySNGHBOJOBHISLI-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)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(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)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene?
The IUPAC name of 16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene (CID 59572878) is 16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene.
What is the SMILES notation for 16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene?
The canonical SMILES for 16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene is Cc1ccc2c3c(oc2c1)Oc1occc1N3c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene?
The InChIKey is SNGHBOJOBHISLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-14-7-8-18-20(11-14)28-24-22(18)26(19-9-10-27-23(19)29-24)21-15(2)12-17(13-16(21)3)25(4,5)6/h7-13H,1-6H3.
What are the key properties of 16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene?
16-(4-tert-butyl-2,6-dimethylphenyl)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(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)-5-methyl-8,10,12-trioxa-16-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,11(15),13-hexaene is sourced from PubChem (CID 59572878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).