2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one

C17H20N2O2 — CID 5295112

IUPAC2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one
SMILESCc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC(C)(C)C31C
InChIInChI=1S/C17H20N2O2/c1-10-5-6-13-12(9-10)11-7-8-19-15(20)21-16(2,3)17(19,4)14(11)18-13/h5-6,9,18H,7-8H2,1-4H3
InChIKeyLORUALZVSACJLL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.48
Rot. Bonds

About 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one

2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one (PubChem CID 5295112) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one.

Molecular Properties

Compound Name2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one
PubChem CID5295112
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one
SMILESCc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC(C)(C)C31C
InChIInChI=1S/C17H20N2O2/c1-10-5-6-13-12(9-10)11-7-8-19-15(20)21-16(2,3)17(19,4)14(11)18-13/h5-6,9,18H,7-8H2,1-4H3
InChIKeyLORUALZVSACJLL-UHFFFAOYSA-N
XLogP3.48
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one?
The IUPAC name of 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one (CID 5295112) is 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one.
What is the SMILES notation for 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one?
The canonical SMILES for 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one is Cc1ccc2[nH]c3c(c2c1)CCN1C(=O)OC(C)(C)C31C.
What is the InChIKey of 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one?
The InChIKey is LORUALZVSACJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-5-6-13-12(9-10)11-7-8-19-15(20)21-16(2,3)17(19,4)14(11)18-13/h5-6,9,18H,7-8H2,1-4H3.
What are the key properties of 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one?
2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one has a molecular weight of 284.36 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,12-tetramethyl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10(15),11,13-tetraen-5-one is sourced from PubChem (CID 5295112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).