9,12,16,16-tetramethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide

C21H24N2O3 — CID 118729960

IUPAC9,12,16,16-tetramethyl-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(n3c1CC(C)Oc1cc(C(N)=O)ccc1-3)CC(C)(C)CC2=O
InChIInChI=1S/C21H24N2O3/c1-11-7-15-12(2)19-16(9-21(3,4)10-17(19)24)23(15)14-6-5-13(20(22)25)8-18(14)26-11/h5-6,8,11H,7,9-10H2,1-4H3,(H2,22,25)
InChIKeyAHEANBICJFPUJQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.36
Rot. Bonds1

About 9,12,16,16-tetramethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide

9,12,16,16-tetramethyl-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 118729960) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 9,12,16,16-tetramethyl-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 Name9,12,16,16-tetramethyl-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 CID118729960
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name9,12,16,16-tetramethyl-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(n3c1CC(C)Oc1cc(C(N)=O)ccc1-3)CC(C)(C)CC2=O
InChIInChI=1S/C21H24N2O3/c1-11-7-15-12(2)19-16(9-21(3,4)10-17(19)24)23(15)14-6-5-13(20(22)25)8-18(14)26-11/h5-6,8,11H,7,9-10H2,1-4H3,(H2,22,25)
InChIKeyAHEANBICJFPUJQ-UHFFFAOYSA-N
XLogP3.36
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9,12,16,16-tetramethyl-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 9,12,16,16-tetramethyl-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 9,12,16,16-tetramethyl-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 118729960) is 9,12,16,16-tetramethyl-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 9,12,16,16-tetramethyl-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 9,12,16,16-tetramethyl-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(n3c1CC(C)Oc1cc(C(N)=O)ccc1-3)CC(C)(C)CC2=O.
What is the InChIKey of 9,12,16,16-tetramethyl-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 AHEANBICJFPUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-11-7-15-12(2)19-16(9-21(3,4)10-17(19)24)23(15)14-6-5-13(20(22)25)8-18(14)26-11/h5-6,8,11H,7,9-10H2,1-4H3,(H2,22,25).
What are the key properties of 9,12,16,16-tetramethyl-14-oxo-8-oxa-1-azatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18)-pentaene-5-carboxamide?
9,12,16,16-tetramethyl-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 352.43 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12,16,16-tetramethyl-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 118729960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).