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

C19H26N2O3 — CID 5199426

IUPAC3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)CC1
InChIInChI=1S/C19H26N2O3/c1-11-2-6-14(7-3-11)20-15(22)8-9-21-18(23)16-12-4-5-13(10-12)17(16)19(21)24/h4-5,11-14,16-17H,2-3,6-10H2,1H3,(H,20,22)
InChIKeyCERGAIYXOYAOSI-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-(4-methylcyclohexyl)propanamide

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-methylcyclohexyl)propanamide (PubChem CID 5199426) 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-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-methylcyclohexyl)propanamide
PubChem CID5199426
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-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)CC1
InChIInChI=1S/C19H26N2O3/c1-11-2-6-14(7-3-11)20-15(22)8-9-21-18(23)16-12-4-5-13(10-12)17(16)19(21)24/h4-5,11-14,16-17H,2-3,6-10H2,1H3,(H,20,22)
InChIKeyCERGAIYXOYAOSI-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-(4-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

Related Compounds

Mgk 264
CID 101008927
Octylbicycloheptenedicarboximide
CID 8227
4-[3-Oxo-3-(1-piperidinyl)propyl]-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5-dione
CID 2876062
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(4-methylcyclohexyl)propanamide
CID 4795608
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-methylacetamide
CID 3241459
ethyl 4-{[3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoyl]amino}piperidine-1-carboxylate
CID 3244264
N-Cyclohexyl-1,3,3a,4,7,7a-hexahydro-alpha-methyl-1,3-dioxo-4,7-methano-2H-isoindole-2-acetamide
CID 2951552
N-cyclohexyl-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 5091582
2-[3-(4-Methyl-1-piperidinyl)-3-oxopropyl]-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 5198891
(1R,2R,3R,4S)-3-N-(4-methylcyclohexyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495005
(1R,2R,3R,4S)-3-N-(4-tert-butylcyclohexyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide
CID 67495838
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 315735

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-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-methylcyclohexyl)propanamide (CID 5199426) is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-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-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)CC1.
What is the InChIKey of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-methylcyclohexyl)propanamide?
The InChIKey is CERGAIYXOYAOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-11-2-6-14(7-3-11)20-15(22)8-9-21-18(23)16-12-4-5-13(10-12)17(16)19(21)24/h4-5,11-14,16-17H,2-3,6-10H2,1H3,(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-(4-methylcyclohexyl)propanamide?
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-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-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 5199426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).