2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide

C26H28N2O3 — CID 2924797

IUPAC2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-16(18-10-6-3-7-11-18)27-24(29)21(14-17-8-4-2-5-9-17)28-25(30)22-19-12-13-20(15-19)23(22)26(28)31/h2-11,16,19-23H,12-15H2,1H3,(H,27,29)
InChIKeyLOAFSWHUOUKUPQ-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.51
Rot. Bonds6

About 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide (PubChem CID 2924797) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide
PubChem CID2924797
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-16(18-10-6-3-7-11-18)27-24(29)21(14-17-8-4-2-5-9-17)28-25(30)22-19-12-13-20(15-19)23(22)26(28)31/h2-11,16,19-23H,12-15H2,1H3,(H,27,29)
InChIKeyLOAFSWHUOUKUPQ-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.51
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 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide (CID 2924797) is 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide is CC(NC(=O)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O)c1ccccc1.
What is the InChIKey of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide?
The InChIKey is LOAFSWHUOUKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-16(18-10-6-3-7-11-18)27-24(29)21(14-17-8-4-2-5-9-17)28-25(30)22-19-12-13-20(15-19)23(22)26(28)31/h2-11,16,19-23H,12-15H2,1H3,(H,27,29).
What are the key properties of 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide?
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide has a molecular weight of 416.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 2924797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).