N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide

C16H14N2O3 — CID 2841476

IUPACN-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c3c(cccc13)C(=O)NC2=O
InChIInChI=1S/C16H14N2O3/c1-8(2)14(19)17-12-7-6-11-13-9(12)4-3-5-10(13)15(20)18-16(11)21/h3-8H,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyWWDJNPCPFVFLEN-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.32
Rot. Bonds2

About N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide

N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide (PubChem CID 2841476) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide
PubChem CID2841476
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c3c(cccc13)C(=O)NC2=O
InChIInChI=1S/C16H14N2O3/c1-8(2)14(19)17-12-7-6-11-13-9(12)4-3-5-10(13)15(20)18-16(11)21/h3-8H,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyWWDJNPCPFVFLEN-UHFFFAOYSA-N
XLogP2.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinylbenzo[de]isoquinoline-1,3-dione;hydrochloride
CID 23364586
6-[1-(ethylamino)ethylamino]benzo[de]isoquinoline-1,3-dione
CID 140524885
6-propan-2-yloxybenzo[de]isoquinoline-1,3-dione
CID 121316447
6-(3-chloro-4-methylanilino)benzo[de]isoquinoline-1,3-dione
CID 56688109
2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride
CID 71608132
N-(1,3-dioxoisoindol-4-yl)-2-methylpentanamide
CID 25250136
N-(1,3-dioxoisoindol-4-yl)-2-naphthalen-1-ylacetamide
CID 727482
2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid
CID 4033927
N-(6-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 170421531
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
2-methyl-N-(1-propan-2-ylindol-4-yl)propanamide
CID 71706625

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide?
The IUPAC name of N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide (CID 2841476) is N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c3c(cccc13)C(=O)NC2=O.
What is the InChIKey of N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide?
The InChIKey is WWDJNPCPFVFLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-8(2)14(19)17-12-7-6-11-13-9(12)4-3-5-10(13)15(20)18-16(11)21/h3-8H,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide?
N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide has a molecular weight of 282.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide is sourced from PubChem (CID 2841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).