8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol

C23H25NO2 — CID 163090167

IUPAC8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol
SMILESCc1cc2c3ccc4c5c3n(c2cc1O)C(C)(C)C1CCC(C)(CC51)O4
InChIInChI=1S/C23H25NO2/c1-12-9-14-13-5-6-19-20-15-11-23(4,26-19)8-7-16(15)22(2,3)24(21(13)20)17(14)10-18(12)25/h5-6,9-10,15-16,25H,7-8,11H2,1-4H3
InChIKeyVGSGRIAAAVWVHZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.59
Rot. Bonds

About 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol

8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol (PubChem CID 163090167) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol.

Molecular Properties

Compound Name8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol
PubChem CID163090167
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol
SMILESCc1cc2c3ccc4c5c3n(c2cc1O)C(C)(C)C1CCC(C)(CC51)O4
InChIInChI=1S/C23H25NO2/c1-12-9-14-13-5-6-19-20-15-11-23(4,26-19)8-7-16(15)22(2,3)24(21(13)20)17(14)10-18(12)25/h5-6,9-10,15-16,25H,7-8,11H2,1-4H3
InChIKeyVGSGRIAAAVWVHZ-UHFFFAOYSA-N
XLogP5.59
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol?
The IUPAC name of 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol (CID 163090167) is 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol.
What is the SMILES notation for 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol?
The canonical SMILES for 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol is Cc1cc2c3ccc4c5c3n(c2cc1O)C(C)(C)C1CCC(C)(CC51)O4.
What is the InChIKey of 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol?
The InChIKey is VGSGRIAAAVWVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-12-9-14-13-5-6-19-20-15-11-23(4,26-19)8-7-16(15)22(2,3)24(21(13)20)17(14)10-18(12)25/h5-6,9-10,15-16,25H,7-8,11H2,1-4H3.
What are the key properties of 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol?
8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol has a molecular weight of 347.46 g/mol, XLogP of 5.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6(11),7,9-hexaen-9-ol is sourced from PubChem (CID 163090167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).