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

C18H24N2O3 — CID 5091582

IUPACN-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
SMILESO=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCCC1
InChIInChI=1S/C18H24N2O3/c21-14(19-13-4-2-1-3-5-13)8-9-20-17(22)15-11-6-7-12(10-11)16(15)18(20)23/h6-7,11-13,15-16H,1-5,8-10H2,(H,19,21)
InChIKeyXKUHTUSHTWEUBD-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.63
Rot. Bonds4

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

N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide (PubChem CID 5091582) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
PubChem CID5091582
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
SMILESO=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCCC1
InChIInChI=1S/C18H24N2O3/c21-14(19-13-4-2-1-3-5-13)8-9-20-17(22)15-11-6-7-12(10-11)16(15)18(20)23/h6-7,11-13,15-16H,1-5,8-10H2,(H,19,21)
InChIKeyXKUHTUSHTWEUBD-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.63
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 N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide with MolForge

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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
2-[3-(4-Methyl-1-piperidinyl)-3-oxopropyl]-3A,4,7,7A-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 5198891
N-cyclohexyl-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide
CID 6463520
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 315735
N-(2-cyclohex-1-en-1-ylethyl)-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
CID 3237540
4-[3-(2,6-Dimethylpiperidin-1-yl)-3-oxopropyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5191099

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide (CID 5091582) is N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide is O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide?
The InChIKey is XKUHTUSHTWEUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-14(19-13-4-2-1-3-5-13)8-9-20-17(22)15-11-6-7-12(10-11)16(15)18(20)23/h6-7,11-13,15-16H,1-5,8-10H2,(H,19,21).
What are the key properties of N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide?
N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide is sourced from PubChem (CID 5091582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).