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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Related Compounds

CID 160047
CID 160047
CID 3339005
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CID 3793001
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CID 5288720
CID 5288720
CID 4116921
CID 4116921
CID 16194355
CID 16194355
CID 334474
CID 334474
CID 3237127
CID 3237127
CID 5951878
CID 5951878
CID 11220435
CID 11220435
CID 11256032
CID 11256032
CID 11520588
CID 11520588

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).