3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene

C23H16N2O — CID 170363296

IUPAC3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene
SMILESCC1(C)c2cccnc2-c2ccc3oc4cc5ccccc5nc4c3c21
InChIInChI=1S/C23H16N2O/c1-23(2)15-7-5-11-24-21(15)14-9-10-17-19(20(14)23)22-18(26-17)12-13-6-3-4-8-16(13)25-22/h3-12H,1-2H3
InChIKeyJYBDHZVFTNCFOS-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.84
Rot. Bonds

About 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene

3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene (PubChem CID 170363296) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene
PubChem CID170363296
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene
SMILESCC1(C)c2cccnc2-c2ccc3oc4cc5ccccc5nc4c3c21
InChIInChI=1S/C23H16N2O/c1-23(2)15-7-5-11-24-21(15)14-9-10-17-19(20(14)23)22-18(26-17)12-13-6-3-4-8-16(13)25-22/h3-12H,1-2H3
InChIKeyJYBDHZVFTNCFOS-UHFFFAOYSA-N
XLogP5.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene with MolForge

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Related Compounds

5,20,20-trimethyl-9-oxa-4,6,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 170363195
3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 170363553
17,17-dimethyl-9,12-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 164705526
3,3,14,14-tetramethyl-8,22-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4(9),5,7,11,15(24),16,18,20,22-undecaene
CID 170363337
3,3,14,14-tetramethyl-15-oxa-8-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16,18,20-nonaene
CID 170363577
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20,20-dimethyl-9-oxa-15-azapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 130232596
24,24-dimethyl-12-oxa-4,19-diazahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,15,17(25),18(23),19,21-undecaene
CID 170363665
(12,12-dimethyl-9,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5(10),6,8,13(21),14,16,18-decaen-15-yl)-trimethylsilane
CID 164748679
3,3,14,14-tetramethyl-15-oxa-8,17-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,16(21),17,19-nonaene
CID 170363604
23,23-dimethyl-12-thia-5,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3(8),4,6,9,14,16(24),17(22),18,20-undecaene
CID 170363530
8-[4,6-bis(5,5-dimethylindeno[1,2-b]pyridin-8-yl)-1,3,5-triazin-2-yl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747246
5,6,9,9,20,20-hexamethyl-4,7,15-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 170363520

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene?
The IUPAC name of 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene (CID 170363296) is 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene.
What is the SMILES notation for 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene?
The canonical SMILES for 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene is CC1(C)c2cccnc2-c2ccc3oc4cc5ccccc5nc4c3c21.
What is the InChIKey of 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene?
The InChIKey is JYBDHZVFTNCFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-23(2)15-7-5-11-24-21(15)14-9-10-17-19(20(14)23)22-18(26-17)12-13-6-3-4-8-16(13)25-22/h3-12H,1-2H3.
What are the key properties of 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene?
3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene has a molecular weight of 336.39 g/mol, XLogP of 5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-14-oxa-8,23-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4(9),5,7,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 170363296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).