1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide

C17H16N2O2 — CID 10612762

IUPAC1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide
SMILESCC12ON(C(N)=O)C(C)(c3ccccc31)c1ccccc12
InChIInChI=1S/C17H16N2O2/c1-16-11-7-3-5-9-13(11)17(2,21-19(16)15(18)20)14-10-6-4-8-12(14)16/h3-10H,1-2H3,(H2,18,20)
InChIKeyOXRRHXVCODBVDV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.85
Rot. Bonds

About 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide

1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide (PubChem CID 10612762) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide.

Molecular Properties

Compound Name1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide
PubChem CID10612762
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide
SMILESCC12ON(C(N)=O)C(C)(c3ccccc31)c1ccccc12
InChIInChI=1S/C17H16N2O2/c1-16-11-7-3-5-9-13(11)17(2,21-19(16)15(18)20)14-10-6-4-8-12(14)16/h3-10H,1-2H3,(H2,18,20)
InChIKeyOXRRHXVCODBVDV-UHFFFAOYSA-N
XLogP2.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide?
The IUPAC name of 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide (CID 10612762) is 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide.
What is the SMILES notation for 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide?
The canonical SMILES for 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide is CC12ON(C(N)=O)C(C)(c3ccccc31)c1ccccc12.
What is the InChIKey of 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide?
The InChIKey is OXRRHXVCODBVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-16-11-7-3-5-9-13(11)17(2,21-19(16)15(18)20)14-10-6-4-8-12(14)16/h3-10H,1-2H3,(H2,18,20).
What are the key properties of 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide?
1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-16-carboxamide is sourced from PubChem (CID 10612762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).