12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione

C12H16N2O5 — CID 5251322

IUPAC12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione
SMILESCC1(C)OC2C3CC4CC(=O)NC(=O)N4C(O3)C2O1
InChIInChI=1S/C12H16N2O5/c1-12(2)18-8-6-3-5-4-7(15)13-11(16)14(5)10(17-6)9(8)19-12/h5-6,8-10H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyILXBLWLTCNCYAW-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.05
Rot. Bonds

About 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione

12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione (PubChem CID 5251322) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione.

Molecular Properties

Compound Name12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione
PubChem CID5251322
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione
SMILESCC1(C)OC2C3CC4CC(=O)NC(=O)N4C(O3)C2O1
InChIInChI=1S/C12H16N2O5/c1-12(2)18-8-6-3-5-4-7(15)13-11(16)14(5)10(17-6)9(8)19-12/h5-6,8-10H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyILXBLWLTCNCYAW-UHFFFAOYSA-N
XLogP-0.05
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione with MolForge

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Related Compounds

(1R,9R,10R,14R)-12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadec-6-ene-3,5-dione
CID 11369123
(1R,10R,11R,15R)-13,13-dimethyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 14606217
(1R,10S,11S,15R)-13,13-dimethyl-12,14,16-trioxa-8-thia-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 23259424
(1S,2S,6S,7S)-4,4-dimethyl-3,5,11-trioxa-9-azatricyclo[5.3.1.02,6]undecan-8-one
CID 15459905
2-[2,2-dimethyl-6-(methylsulfonylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,2,4-triazinane-3,5-dione
CID 74477124
(1R,5R,7R,8S,11R,12R,16R)-4-benzoyl-6,6-dibromo-14,14-dimethyl-9,13,15,17-tetraoxa-2,4-diazapentacyclo[9.5.1.02,8.05,7.012,16]heptadecan-3-one
CID 23255266
(1R,9S,10R,14R)-12,12-dimethyl-7,11,13,15-tetraoxa-2,4-diazatetracyclo[7.5.1.02,6.010,14]pentadeca-3,5-diene-5-carboxamide
CID 58241310
(1S,2S,6R,10R,14S,15S,19R,23R,27S,28S,32R,36R)-4,4,12,12,17,17,25,25,30,30,38,38-dodecamethyl-3,5,11,13,16,18,24,26,29,31,37,39-dodecaoxa-8,21,34-triazaheptacyclo[34.3.0.02,6.010,14.015,19.023,27.028,32]nonatriacontane-7,20,33-trione
CID 101272718
(1R,13R,14R,18R)-16,16-dimethyl-11,15,17,19-tetraoxa-2,4,6,9-tetrazapentacyclo[11.5.1.02,10.03,8.014,18]nonadeca-3,5,7,9-tetraen-7-amine
CID 15596166
1-[(1R,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-yl]pyrrolidine-2,5-dione
CID 101157560
(1R,10R,11R,15R)-13,13-dimethyl-6-tributylstannyl-8,12,14,16-tetraoxa-2,4-diazatetracyclo[8.5.1.02,7.011,15]hexadec-6-ene-3,5-dione
CID 44549704
3-[[(1R,13R,14R,18R)-16,16-dimethyl-3,5-dioxo-9,11,15,17,19-pentaoxa-2,4-diaza-10-phosphatetracyclo[11.5.1.12,6.014,18]icos-6(20)-en-10-yl]oxy]propanenitrile
CID 10788591

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione?
The IUPAC name of 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione (CID 5251322) is 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione.
What is the SMILES notation for 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione?
The canonical SMILES for 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione is CC1(C)OC2C3CC4CC(=O)NC(=O)N4C(O3)C2O1.
What is the InChIKey of 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione?
The InChIKey is ILXBLWLTCNCYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-12(2)18-8-6-3-5-4-7(15)13-11(16)14(5)10(17-6)9(8)19-12/h5-6,8-10H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione?
12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione has a molecular weight of 268.27 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11,13,15-trioxa-2,4-diazatetracyclo[7.5.1.02,7.010,14]pentadecane-3,5-dione is sourced from PubChem (CID 5251322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).