12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide

C20H22N2O3 — CID 90657117

IUPAC12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
SMILESCc1c2c(n3c1CCOc1cc(C(N)=O)ccc1-3)CC(C)(C)CC2=O
InChIInChI=1S/C20H22N2O3/c1-11-13-6-7-25-17-8-12(19(21)24)4-5-14(17)22(13)15-9-20(2,3)10-16(23)18(11)15/h4-5,8H,6-7,9-10H2,1-3H3,(H2,21,24)
InChIKeyCXFXSTHDYJQJAP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.97
Rot. Bonds1

About 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide

12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide (PubChem CID 90657117) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide.

Molecular Properties

Compound Name12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
PubChem CID90657117
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide
SMILESCc1c2c(n3c1CCOc1cc(C(N)=O)ccc1-3)CC(C)(C)CC2=O
InChIInChI=1S/C20H22N2O3/c1-11-13-6-7-25-17-8-12(19(21)24)4-5-14(17)22(13)15-9-20(2,3)10-16(23)18(11)15/h4-5,8H,6-7,9-10H2,1-3H3,(H2,21,24)
InChIKeyCXFXSTHDYJQJAP-UHFFFAOYSA-N
XLogP2.97
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
The IUPAC name of 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide (CID 90657117) is 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide.
What is the SMILES notation for 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
The canonical SMILES for 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide is Cc1c2c(n3c1CCOc1cc(C(N)=O)ccc1-3)CC(C)(C)CC2=O.
What is the InChIKey of 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
The InChIKey is CXFXSTHDYJQJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-11-13-6-7-25-17-8-12(19(21)24)4-5-14(17)22(13)15-9-20(2,3)10-16(23)18(11)15/h4-5,8H,6-7,9-10H2,1-3H3,(H2,21,24).
What are the key properties of 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,16,16-trimethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide is sourced from PubChem (CID 90657117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).