3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide

C20H24N2O3 — CID 3776698

IUPAC3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C20H24N2O3/c1-2-12-5-3-4-6-15(12)21-16(23)9-10-22-19(24)17-13-7-8-14(11-13)18(17)20(22)25/h3-6,13-14,17-18H,2,7-11H2,1H3,(H,21,23)
InChIKeyXFGNOXOFRCMCQW-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.61
Rot. Bonds5

About 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide

3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide (PubChem CID 3776698) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide
PubChem CID3776698
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C20H24N2O3/c1-2-12-5-3-4-6-15(12)21-16(23)9-10-22-19(24)17-13-7-8-14(11-13)18(17)20(22)25/h3-6,13-14,17-18H,2,7-11H2,1H3,(H,21,23)
InChIKeyXFGNOXOFRCMCQW-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide (CID 3776698) is 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN1C(=O)C2C3CCC(C3)C2C1=O.
What is the InChIKey of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide?
The InChIKey is XFGNOXOFRCMCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-12-5-3-4-6-15(12)21-16(23)9-10-22-19(24)17-13-7-8-14(11-13)18(17)20(22)25/h3-6,13-14,17-18H,2,7-11H2,1H3,(H,21,23).
What are the key properties of 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide?
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-N-(2-ethylphenyl)propanamide has a molecular weight of 340.42 g/mol, XLogP of 2.61, 5 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]decan-4-yl)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 3776698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).