20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene

C20H17NO2 — CID 58240004

IUPAC20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene
SMILESCC1(C)c2ccccc2-c2nccc3cc4c(c1c23)OCCO4
InChIInChI=1S/C20H17NO2/c1-20(2)14-6-4-3-5-13(14)18-16-12(7-8-21-18)11-15-19(17(16)20)23-10-9-22-15/h3-8,11H,9-10H2,1-2H3
InChIKeyCJKXYVUMYPYYMA-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.31
Rot. Bonds

About 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene

20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene (PubChem CID 58240004) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene.

Molecular Properties

Compound Name20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene
PubChem CID58240004
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene
SMILESCC1(C)c2ccccc2-c2nccc3cc4c(c1c23)OCCO4
InChIInChI=1S/C20H17NO2/c1-20(2)14-6-4-3-5-13(14)18-16-12(7-8-21-18)11-15-19(17(16)20)23-10-9-22-15/h3-8,11H,9-10H2,1-2H3
InChIKeyCJKXYVUMYPYYMA-UHFFFAOYSA-N
XLogP4.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene with MolForge

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Related Compounds

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CID 90835059
15-(3,4-dimethyloct-5-en-4-yl)-20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14(19),17-heptaene
CID 144941608
spiro[16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-8,9'-fluorene]
CID 59522731
4,6,20,20-tetramethyl-5,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
CID 165170266
4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-5,5-dimethylindeno[1,2-b]pyridine
CID 59747180
6-fluoro-4,8,8-trimethyl-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 134201762
2-(9,9-dimethylfluoren-1-yl)-4-methylpyridine
CID 156655026
(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
10,10-dimethyl-12-(10-pyrazin-2-ylanthracen-9-yl)-2-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene
CID 139567301
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
10,12,12-trimethyl-20-oxa-7-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164814685
3,3,18-trimethyl-15-oxa-17,20-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,16,18,20-nonaene
CID 170363668

Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene?
The IUPAC name of 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene (CID 58240004) is 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene.
What is the SMILES notation for 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene?
The canonical SMILES for 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene is CC1(C)c2ccccc2-c2nccc3cc4c(c1c23)OCCO4.
What is the InChIKey of 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene?
The InChIKey is CJKXYVUMYPYYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-20(2)14-6-4-3-5-13(14)18-16-12(7-8-21-18)11-15-19(17(16)20)23-10-9-22-15/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene?
20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene has a molecular weight of 303.36 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20-dimethyl-3,6-dioxa-12-azapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),8,10,12,14,16,18-octaene is sourced from PubChem (CID 58240004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).