3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide

C23H20N2O3 — CID 113202430

IUPAC3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)NCCc1ccccc1
InChIInChI=1S/C23H20N2O3/c26-20(24-14-12-16-6-2-1-3-7-16)13-15-25-22(27)18-10-4-8-17-9-5-11-19(21(17)18)23(25)28/h1-11H,12-15H2,(H,24,26)
InChIKeyHYGUQVSDFVCNRE-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.18
Rot. Bonds6

About 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide

3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide (PubChem CID 113202430) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide
PubChem CID113202430
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide
SMILESO=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)NCCc1ccccc1
InChIInChI=1S/C23H20N2O3/c26-20(24-14-12-16-6-2-1-3-7-16)13-15-25-22(27)18-10-4-8-17-9-5-11-19(21(17)18)23(25)28/h1-11H,12-15H2,(H,24,26)
InChIKeyHYGUQVSDFVCNRE-UHFFFAOYSA-N
XLogP3.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 154884054
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 26594242
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
3-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]propanoic acid
CID 119351013
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-hydroxyethyl)butanamide
CID 2922128
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-(methylamino)ethyl]butanamide
CID 119500481
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 113202428
N-[2-(benzenesulfonyl)ethyl]-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 55734054
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 27770177
3-(4-chloro-1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113202138
N-tert-butyl-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide
CID 19172195
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 46476578

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide (CID 113202430) is 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide is O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)NCCc1ccccc1.
What is the InChIKey of 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is HYGUQVSDFVCNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-20(24-14-12-16-6-2-1-3-7-16)13-15-25-22(27)18-10-4-8-17-9-5-11-19(21(17)18)23(25)28/h1-11H,12-15H2,(H,24,26).
What are the key properties of 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide?
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 372.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 113202430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).