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

C25H26N2O3 — CID 2925838

IUPACN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C25H26N2O3/c28-23(26-15-17-9-5-2-6-10-17)20(13-16-7-3-1-4-8-16)27-24(29)21-18-11-12-19(14-18)22(21)25(27)30/h1-10,18-22H,11-15H2,(H,26,28)
InChIKeyVZJGNOPVKAXTPB-UHFFFAOYSA-N
MW402.49 g/mol
LogP2.95
Rot. Bonds6

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

N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide (PubChem CID 2925838) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide
PubChem CID2925838
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide
SMILESO=C(NCc1ccccc1)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI=1S/C25H26N2O3/c28-23(26-15-17-9-5-2-6-10-17)20(13-16-7-3-1-4-8-16)27-24(29)21-18-11-12-19(14-18)22(21)25(27)30/h1-10,18-22H,11-15H2,(H,26,28)
InChIKeyVZJGNOPVKAXTPB-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 52.95
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 N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide?
The IUPAC name of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide (CID 2925838) is N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide?
The canonical SMILES for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide is O=C(NCc1ccccc1)C(Cc1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O.
What is the InChIKey of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide?
The InChIKey is VZJGNOPVKAXTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c28-23(26-15-17-9-5-2-6-10-17)20(13-16-7-3-1-4-8-16)27-24(29)21-18-11-12-19(14-18)22(21)25(27)30/h1-10,18-22H,11-15H2,(H,26,28).
What are the key properties of N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide?
N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide has a molecular weight of 402.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 2925838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).