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

C16H20N2O2 — CID 7384444

IUPAC2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C16H20N2O2/c1-16(2,3)15(20)17-12-7-10-5-4-6-18-13(19)9-11(8-12)14(10)18/h7-8H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyZRCGWKVPDZVEOH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.51
Rot. Bonds1

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

2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide (PubChem CID 7384444) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide
PubChem CID7384444
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C16H20N2O2/c1-16(2,3)15(20)17-12-7-10-5-4-6-18-13(19)9-11(8-12)14(10)18/h7-8H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyZRCGWKVPDZVEOH-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

Analyze 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide (CID 7384444) is 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide is CC(C)(C)C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide?
The InChIKey is ZRCGWKVPDZVEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)15(20)17-12-7-10-5-4-6-18-13(19)9-11(8-12)14(10)18/h7-8H,4-6,9H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide?
2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)propanamide is sourced from PubChem (CID 7384444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).