2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione

C19H29NO3 — CID 76532799

IUPAC2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione
SMILESCN1C(=O)COCC2(C)C3CCC4(C)C(=O)CCC4C3CCC12
InChIInChI=1S/C19H29NO3/c1-18-9-8-14-12(13(18)5-7-16(18)21)4-6-15-19(14,2)11-23-10-17(22)20(15)3/h12-15H,4-11H2,1-3H3
InChIKeyWNYHQBYMGQTBQT-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.66
Rot. Bonds

About 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione

2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione (PubChem CID 76532799) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione.

Molecular Properties

Compound Name2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione
PubChem CID76532799
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione
SMILESCN1C(=O)COCC2(C)C3CCC4(C)C(=O)CCC4C3CCC12
InChIInChI=1S/C19H29NO3/c1-18-9-8-14-12(13(18)5-7-16(18)21)4-6-15-19(14,2)11-23-10-17(22)20(15)3/h12-15H,4-11H2,1-3H3
InChIKeyWNYHQBYMGQTBQT-UHFFFAOYSA-N
XLogP2.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione with MolForge

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Related Compounds

(3aS,3bR,9aR,9bR,11aS)-6,9a,11a-trimethyl-1,7-dioxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinoline-8-carbonitrile
CID 57001518
(1Z,3aS,3bS,9aR,9bR,11aS)-1-(1-bromoethylidene)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one
CID 69437291
(5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 7060918
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 71309683
10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 443
(8R,9S,10S,13S,14S)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione;hydrate
CID 140970819
(3S,10S,13S)-3,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 122644558
(10S,13S)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 22849794
(3aS,3bR,9aR,9bS,11aS)-6-acetyl-9a,11a-dimethyl-3,3a,3b,4,5,5a,7,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinolin-1-one
CID 58356600
(3aS,3bR,5aS,9aR,9bS,11aS)-6-acetyl-9a,11a-dimethyl-3,3a,3b,4,5,5a,7,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinolin-1-one
CID 58356576
(8R,9S,10R,13S,14S)-4,4,10,13-tetramethyl-2,3,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 141235300
(9aR,11aR)-1,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one
CID 71056442

Frequently Asked Questions

What is the IUPAC name of 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione?
The IUPAC name of 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione (CID 76532799) is 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione.
What is the SMILES notation for 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione?
The canonical SMILES for 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione is CN1C(=O)COCC2(C)C3CCC4(C)C(=O)CCC4C3CCC12.
What is the InChIKey of 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione?
The InChIKey is WNYHQBYMGQTBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-18-9-8-14-12(13(18)5-7-16(18)21)4-6-15-19(14,2)11-23-10-17(22)20(15)3/h12-15H,4-11H2,1-3H3.
What are the key properties of 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione?
2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione has a molecular weight of 319.44 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,16-trimethyl-4-oxa-7-azatetracyclo[9.7.0.02,8.012,16]octadecane-6,15-dione is sourced from PubChem (CID 76532799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).