3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide

C19H26N2O3 — CID 5199427

IUPAC3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C19H26N2O3/c1-11-4-2-3-5-14(11)20-15(22)8-9-21-18(23)16-12-6-7-13(10-12)17(16)19(21)24/h6-7,11-14,16-17H,2-5,8-10H2,1H3,(H,20,22)
InChIKeyBVTGEMDEGYHAAO-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.88
Rot. Bonds4

About 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide (PubChem CID 5199427) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide
PubChem CID5199427
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide
SMILESCC1CCCCC1NC(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C19H26N2O3/c1-11-4-2-3-5-14(11)20-15(22)8-9-21-18(23)16-12-6-7-13(10-12)17(16)19(21)24/h6-7,11-14,16-17H,2-5,8-10H2,1H3,(H,20,22)
InChIKeyBVTGEMDEGYHAAO-UHFFFAOYSA-N
XLogP1.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)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 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide (CID 5199427) is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide is CC1CCCCC1NC(=O)CCN1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide?
The InChIKey is BVTGEMDEGYHAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-11-4-2-3-5-14(11)20-15(22)8-9-21-18(23)16-12-6-7-13(10-12)17(16)19(21)24/h6-7,11-14,16-17H,2-5,8-10H2,1H3,(H,20,22).
What are the key properties of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide?
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 5199427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).