2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione

C20H31NO2 — CID 123298923

IUPAC2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione
SMILESCC1CCC2C(CCCC1=O)CCC1=CC(=O)N(C)CCC12C
InChIInChI=1S/C20H31NO2/c1-14-7-10-17-15(5-4-6-18(14)22)8-9-16-13-19(23)21(3)12-11-20(16,17)2/h13-15,17H,4-12H2,1-3H3
InChIKeyKAEJFWBXSLFDEH-UHFFFAOYSA-N
MW317.47 g/mol
LogP3.98
Rot. Bonds

About 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione

2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione (PubChem CID 123298923) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione.

Molecular Properties

Compound Name2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione
PubChem CID123298923
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione
SMILESCC1CCC2C(CCCC1=O)CCC1=CC(=O)N(C)CCC12C
InChIInChI=1S/C20H31NO2/c1-14-7-10-17-15(5-4-6-18(14)22)8-9-16-13-19(23)21(3)12-11-20(16,17)2/h13-15,17H,4-12H2,1-3H3
InChIKeyKAEJFWBXSLFDEH-UHFFFAOYSA-N
XLogP3.98
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione with MolForge

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Related Compounds

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(5R)-5-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-N,N-diethylhexanamide
CID 22837115
(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-N,N-diethylpropanamide
CID 57040008
(8S,9R,10R,13S,14S)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 57163421
(3aS,3bR,10aR,10bS,12aS)-8,10a,12a-trimethyl-3,3a,3b,4,5,9,10,10b,11,12-decahydro-2H-indeno[4,5-i][3]benzazepine-1,7-dione
CID 68086680
(3aS,3bR,10aR,10bS,12aS)-8,10a,12a-trimethyl-3b,4,5,9,10,10b,11,12-octahydro-3aH-indeno[4,5-i][3]benzazepine-1,7-dione
CID 68086684
(3aS,3bR,10aR,10bS,12aS)-5,8,10a,12a-tetramethyl-3,3a,3b,4,5,9,10,10b,11,12-decahydro-2H-indeno[4,5-i][3]benzazepine-1,7-dione
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(3aS,3bR,10aR,10bS,12aS)-5,8,10a,12a-tetramethyl-3b,4,5,9,10,10b,11,12-octahydro-3aH-indeno[4,5-i][3]benzazepine-1,7-dione
CID 68087504
(8S,9S,10R,13S,14S,17R)-N,N-diethyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide
CID 70527386
N,N-diethyl-2-[(8S,9S,10R,13S,14S)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-13-yl]acetamide
CID 70612152
2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-N,N-diethylpropanamide
CID 70616695

Frequently Asked Questions

What is the IUPAC name of 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione?
The IUPAC name of 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione (CID 123298923) is 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione.
What is the SMILES notation for 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione?
The canonical SMILES for 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione is CC1CCC2C(CCCC1=O)CCC1=CC(=O)N(C)CCC12C.
What is the InChIKey of 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione?
The InChIKey is KAEJFWBXSLFDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-14-7-10-17-15(5-4-6-18(14)22)8-9-16-13-19(23)21(3)12-11-20(16,17)2/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione?
2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione has a molecular weight of 317.47 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,16-trimethyl-5-azatricyclo[9.7.0.02,8]octadec-7-ene-6,15-dione is sourced from PubChem (CID 123298923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).