3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide

C18H24N2O2 — CID 18577990

IUPAC3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
SMILESCC1C(=O)N2CCCc3cc(NC(=O)CC(C)(C)C)cc1c32
InChIInChI=1S/C18H24N2O2/c1-11-14-9-13(19-15(21)10-18(2,3)4)8-12-6-5-7-20(16(12)14)17(11)22/h8-9,11H,5-7,10H2,1-4H3,(H,19,21)
InChIKeyQEDKLQLSQSMMDL-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.46
Rot. Bonds2

About 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide

3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide (PubChem CID 18577990) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
PubChem CID18577990
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
SMILESCC1C(=O)N2CCCc3cc(NC(=O)CC(C)(C)C)cc1c32
InChIInChI=1S/C18H24N2O2/c1-11-14-9-13(19-15(21)10-18(2,3)4)8-12-6-5-7-20(16(12)14)17(11)22/h8-9,11H,5-7,10H2,1-4H3,(H,19,21)
InChIKeyQEDKLQLSQSMMDL-UHFFFAOYSA-N
XLogP3.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide (CID 18577990) is 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide is CC1C(=O)N2CCCc3cc(NC(=O)CC(C)(C)C)cc1c32.
What is the InChIKey of 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide?
The InChIKey is QEDKLQLSQSMMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-14-9-13(19-15(21)10-18(2,3)4)8-12-6-5-7-20(16(12)14)17(11)22/h8-9,11H,5-7,10H2,1-4H3,(H,19,21).
What are the key properties of 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide?
3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide has a molecular weight of 300.40 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide is sourced from PubChem (CID 18577990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).