3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide

C16H20N2O2 — CID 7526281

IUPAC3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
SMILESCC(C)CC(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C16H20N2O2/c1-10(2)7-14(19)17-13-8-11-3-4-15(20)18-6-5-12(9-13)16(11)18/h8-10H,3-7H2,1-2H3,(H,17,19)
InChIKeyJPTFWQGHGDOEAC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.51
Rot. Bonds3

About 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide

3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide (PubChem CID 7526281) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
PubChem CID7526281
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
SMILESCC(C)CC(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2
InChIInChI=1S/C16H20N2O2/c1-10(2)7-14(19)17-13-8-11-3-4-15(20)18-6-5-12(9-13)16(11)18/h8-10H,3-7H2,1-2H3,(H,17,19)
InChIKeyJPTFWQGHGDOEAC-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide?
The IUPAC name of 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide (CID 7526281) is 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide?
The canonical SMILES for 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide is CC(C)CC(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2.
What is the InChIKey of 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide?
The InChIKey is JPTFWQGHGDOEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)7-14(19)17-13-8-11-3-4-15(20)18-6-5-12(9-13)16(11)18/h8-10H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide?
3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide is sourced from PubChem (CID 7526281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).