N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide

C15H17N3O3 — CID 16823150

IUPACN-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
SMILESCCNC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C15H17N3O3/c1-2-16-14(20)15(21)17-11-7-9-3-4-12(19)18-6-5-10(8-11)13(9)18/h7-8H,2-6H2,1H3,(H,16,20)(H,17,21)
InChIKeyILGCFQGDTRVJEB-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.60
Rot. Bonds2

About N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide

N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide (PubChem CID 16823150) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide.

Molecular Properties

Compound NameN-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
PubChem CID16823150
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
SMILESCCNC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C15H17N3O3/c1-2-16-14(20)15(21)17-11-7-9-3-4-12(19)18-6-5-10(8-11)13(9)18/h7-8H,2-6H2,1H3,(H,16,20)(H,17,21)
InChIKeyILGCFQGDTRVJEB-UHFFFAOYSA-N
XLogP0.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide?
The IUPAC name of N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide (CID 16823150) is N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide.
What is the SMILES notation for N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide?
The canonical SMILES for N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide is CCNC(=O)C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide?
The InChIKey is ILGCFQGDTRVJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-16-14(20)15(21)17-11-7-9-3-4-12(19)18-6-5-10(8-11)13(9)18/h7-8H,2-6H2,1H3,(H,16,20)(H,17,21).
What are the key properties of N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide?
N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide has a molecular weight of 287.32 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide is sourced from PubChem (CID 16823150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).