11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene

C24H32Br2N2O2 — CID 88972697

IUPAC11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene
SMILESCOc1cc2c(cc1Br)-c1c(Br)c3c(n1CC2)CON(C(C)(C)C)CCC(C)(C)C3
InChIInChI=1S/C24H32Br2N2O2/c1-23(2,3)28-10-8-24(4,5)13-17-19(14-30-28)27-9-7-15-11-20(29-6)18(25)12-16(15)22(27)21(17)26/h11-12H,7-10,13-14H2,1-6H3
InChIKeyPZZYTBGZMNKMSN-UHFFFAOYSA-N
MW540.34 g/mol
LogP6.75
Rot. Bonds1

About 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene

11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene (PubChem CID 88972697) has the molecular formula C24H32Br2N2O2 and a molecular weight of 540.34 g/mol. Its IUPAC name is 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene.

Molecular Properties

Compound Name11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene
PubChem CID88972697
Molecular FormulaC24H32Br2N2O2
Molecular Weight540.34 g/mol
Exact Mass538.08
IUPAC Name11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene
SMILESCOc1cc2c(cc1Br)-c1c(Br)c3c(n1CC2)CON(C(C)(C)C)CCC(C)(C)C3
InChIInChI=1S/C24H32Br2N2O2/c1-23(2,3)28-10-8-24(4,5)13-17-19(14-30-28)27-9-7-15-11-20(29-6)18(25)12-16(15)22(27)21(17)26/h11-12H,7-10,13-14H2,1-6H3
InChIKeyPZZYTBGZMNKMSN-UHFFFAOYSA-N
XLogP6.75
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.34
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene?
The IUPAC name of 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene (CID 88972697) is 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene.
What is the SMILES notation for 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene?
The canonical SMILES for 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene is COc1cc2c(cc1Br)-c1c(Br)c3c(n1CC2)CON(C(C)(C)C)CCC(C)(C)C3.
What is the InChIKey of 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene?
The InChIKey is PZZYTBGZMNKMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Br2N2O2/c1-23(2,3)28-10-8-24(4,5)13-17-19(14-30-28)27-9-7-15-11-20(29-6)18(25)12-16(15)22(27)21(17)26/h11-12H,7-10,13-14H2,1-6H3.
What are the key properties of 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene?
11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene has a molecular weight of 540.34 g/mol, XLogP of 6.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dibromo-5-tert-butyl-16-methoxy-8,8-dimethyl-4-oxa-1,5-diazatetracyclo[10.8.0.02,10.013,18]icosa-2(10),11,13,15,17-pentaene is sourced from PubChem (CID 88972697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).