(1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione

C21H25NO2 — CID 134960498

IUPAC(1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione
SMILESC[C@@H]1CN2C[C@H]3CCC4=C5C(=CC[C@@]56C(=O)C1CC2[C@@]36C)CC4=O
InChIInChI=1S/C21H25NO2/c1-11-9-22-10-13-3-4-14-16(23)7-12-5-6-21(18(12)14)19(24)15(11)8-17(22)20(13,21)2/h5,11,13,15,17H,3-4,6-10H2,1-2H3/t11-,13-,15?,17?,20-,21+/m1/s1
InChIKeyRTKGTTXYWLIMFR-TUBIZESNSA-N
MW323.44 g/mol
LogP2.91
Rot. Bonds

About (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione

(1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione (PubChem CID 134960498) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione.

Molecular Properties

Compound Name(1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione
PubChem CID134960498
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione
SMILESC[C@@H]1CN2C[C@H]3CCC4=C5C(=CC[C@@]56C(=O)C1CC2[C@@]36C)CC4=O
InChIInChI=1S/C21H25NO2/c1-11-9-22-10-13-3-4-14-16(23)7-12-5-6-21(18(12)14)19(24)15(11)8-17(22)20(13,21)2/h5,11,13,15,17H,3-4,6-10H2,1-2H3/t11-,13-,15?,17?,20-,21+/m1/s1
InChIKeyRTKGTTXYWLIMFR-TUBIZESNSA-N
XLogP2.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione 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 (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione?
The IUPAC name of (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione (CID 134960498) is (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione.
What is the SMILES notation for (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione?
The canonical SMILES for (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione is C[C@@H]1CN2C[C@H]3CCC4=C5C(=CC[C@@]56C(=O)C1CC2[C@@]36C)CC4=O.
What is the InChIKey of (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione?
The InChIKey is RTKGTTXYWLIMFR-TUBIZESNSA-N. The full InChI is InChI=1S/C21H25NO2/c1-11-9-22-10-13-3-4-14-16(23)7-12-5-6-21(18(12)14)19(24)15(11)8-17(22)20(13,21)2/h5,11,13,15,17H,3-4,6-10H2,1-2H3/t11-,13-,15?,17?,20-,21+/m1/s1.
What are the key properties of (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione?
(1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione has a molecular weight of 323.44 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,10S)-2,6-dimethyl-8-azahexacyclo[11.5.1.11,5.02,10.03,8.016,19]icosa-13(19),16-diene-14,20-dione is sourced from PubChem (CID 134960498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).