N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide

C24H22N4O4 — CID 11711666

IUPACN-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide
SMILESCN(C)CCN1C(=O)c2cccc3cc(NC(=O)NC(=O)c4ccccc4)cc(c23)C1=O
InChIInChI=1S/C24H22N4O4/c1-27(2)11-12-28-22(30)18-10-6-9-16-13-17(14-19(20(16)18)23(28)31)25-24(32)26-21(29)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H2,25,26,29,32)
InChIKeyVTCWMPJVALJCOG-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.96
Rot. Bonds5

About N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide

N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide (PubChem CID 11711666) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide
PubChem CID11711666
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide
SMILESCN(C)CCN1C(=O)c2cccc3cc(NC(=O)NC(=O)c4ccccc4)cc(c23)C1=O
InChIInChI=1S/C24H22N4O4/c1-27(2)11-12-28-22(30)18-10-6-9-16-13-17(14-19(20(16)18)23(28)31)25-24(32)26-21(29)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H2,25,26,29,32)
InChIKeyVTCWMPJVALJCOG-UHFFFAOYSA-N
XLogP2.96
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide?
The IUPAC name of N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide (CID 11711666) is N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide is CN(C)CCN1C(=O)c2cccc3cc(NC(=O)NC(=O)c4ccccc4)cc(c23)C1=O.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide?
The InChIKey is VTCWMPJVALJCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-27(2)11-12-28-22(30)18-10-6-9-16-13-17(14-19(20(16)18)23(28)31)25-24(32)26-21(29)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H2,25,26,29,32).
What are the key properties of N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide?
N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide has a molecular weight of 430.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-5-yl]carbamoyl]benzamide is sourced from PubChem (CID 11711666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).