4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide

C26H26N2O4 — CID 37398807

IUPAC4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
SMILESCCOCc1ccccc1CNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C26H26N2O4/c1-2-32-17-20-9-4-3-8-19(20)16-27-23(29)14-7-15-28-25(30)21-12-5-10-18-11-6-13-22(24(18)21)26(28)31/h3-6,8-13H,2,7,14-17H2,1H3,(H,27,29)
InChIKeySVQBBOLPWXXPRL-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.07
Rot. Bonds9

About 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide (PubChem CID 37398807) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
PubChem CID37398807
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
SMILESCCOCc1ccccc1CNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O
InChIInChI=1S/C26H26N2O4/c1-2-32-17-20-9-4-3-8-19(20)16-27-23(29)14-7-15-28-25(30)21-12-5-10-18-11-6-13-22(24(18)21)26(28)31/h3-6,8-13H,2,7,14-17H2,1H3,(H,27,29)
InChIKeySVQBBOLPWXXPRL-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide with MolForge

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Related Compounds

N-(3-aminobutyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide;hydrochloride
CID 119495415
methyl 4-[[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]methyl]benzoate
CID 4810758
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-methylbutanamide
CID 3276380
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[2-(methylamino)ethyl]butanamide
CID 119500481
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-hydroxyethyl)butanamide
CID 2922128
4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 63308069
3-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]propanoic acid
CID 119351013
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-methoxybutyl)butanamide
CID 55724619
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-pentan-3-ylbutanamide
CID 4810982
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]butanamide
CID 46454052
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 42120764
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
CID 5186

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide (CID 37398807) is 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide is CCOCc1ccccc1CNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O.
What is the InChIKey of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
The InChIKey is SVQBBOLPWXXPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-2-32-17-20-9-4-3-8-19(20)16-27-23(29)14-7-15-28-25(30)21-12-5-10-18-11-6-13-22(24(18)21)26(28)31/h3-6,8-13H,2,7,14-17H2,1H3,(H,27,29).
What are the key properties of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide?
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide has a molecular weight of 430.50 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 37398807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).