2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide

C20H17N3O3 — CID 52946484

IUPAC2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
SMILESNCC(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H17N3O3/c21-11-16(24)22-9-10-23-18-13-6-2-3-7-14(13)19(25)17(18)12-5-1-4-8-15(12)20(23)26/h1-8H,9-11,21H2,(H,22,24)
InChIKeyZCJZPNZYUIHQTH-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.29
Rot. Bonds4

About 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide

2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide (PubChem CID 52946484) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
PubChem CID52946484
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide
SMILESNCC(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C20H17N3O3/c21-11-16(24)22-9-10-23-18-13-6-2-3-7-14(13)19(25)17(18)12-5-1-4-8-15(12)20(23)26/h1-8H,9-11,21H2,(H,22,24)
InChIKeyZCJZPNZYUIHQTH-UHFFFAOYSA-N
XLogP1.29
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide (CID 52946484) is 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide is NCC(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide?
The InChIKey is ZCJZPNZYUIHQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c21-11-16(24)22-9-10-23-18-13-6-2-3-7-14(13)19(25)17(18)12-5-1-4-8-15(12)20(23)26/h1-8H,9-11,21H2,(H,22,24).
What are the key properties of 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide?
2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)ethyl]acetamide is sourced from PubChem (CID 52946484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).