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

C18H24N2O3 — CID 2951552

IUPACN-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C18H24N2O3/c1-10(16(21)19-13-5-3-2-4-6-13)20-17(22)14-11-7-8-12(9-11)15(14)18(20)23/h7-8,10-15H,2-6,9H2,1H3,(H,19,21)
InChIKeyDVTPMYCKKDOAJR-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.63
Rot. Bonds3

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

N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide (PubChem CID 2951552) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
PubChem CID2951552
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)N1C(=O)C2C3C=CC(C3)C2C1=O
InChIInChI=1S/C18H24N2O3/c1-10(16(21)19-13-5-3-2-4-6-13)20-17(22)14-11-7-8-12(9-11)15(14)18(20)23/h7-8,10-15H,2-6,9H2,1H3,(H,19,21)
InChIKeyDVTPMYCKKDOAJR-UHFFFAOYSA-N
XLogP1.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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'}

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Related Compounds

2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(4-methylcyclohexyl)acetamide
CID 4795607
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-methylacetamide
CID 3241459
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)acetamide
CID 315734
N-cyclohexyl-2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetamide
CID 2968496
N-cyclohexyl-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanamide
CID 5091582
2-(2-(dimethylamino)ethyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 547574
2-Norbornene-5,6-dicarboximide, N-(diethylaminoethyl)-
CID 95704
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
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(4-methylcyclohexyl)propanamide
CID 5199426
N-[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)ethyl]piperidine-1-carboxamide
CID 5307316
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(diethylamino)ethyl)-, monohydrochloride
CID 217690

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide (CID 2951552) is N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide is CC(C(=O)NC1CCCCC1)N1C(=O)C2C3C=CC(C3)C2C1=O.
What is the InChIKey of N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide?
The InChIKey is DVTPMYCKKDOAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-10(16(21)19-13-5-3-2-4-6-13)20-17(22)14-11-7-8-12(9-11)15(14)18(20)23/h7-8,10-15H,2-6,9H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide?
N-cyclohexyl-2-(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, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanamide is sourced from PubChem (CID 2951552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).