N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide

C14H16N2O4 — CID 145371603

IUPACN-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide
SMILESCC(=O)N(C)C(=O)C(C)N1C(=O)C2=CCCC=C2C1=O
InChIInChI=1S/C14H16N2O4/c1-8(12(18)15(3)9(2)17)16-13(19)10-6-4-5-7-11(10)14(16)20/h6-8H,4-5H2,1-3H3
InChIKeySOGRCSUQXJVWJM-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.40
Rot. Bonds2

About N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide

N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide (PubChem CID 145371603) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide
PubChem CID145371603
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide
SMILESCC(=O)N(C)C(=O)C(C)N1C(=O)C2=CCCC=C2C1=O
InChIInChI=1S/C14H16N2O4/c1-8(12(18)15(3)9(2)17)16-13(19)10-6-4-5-7-11(10)14(16)20/h6-8H,4-5H2,1-3H3
InChIKeySOGRCSUQXJVWJM-UHFFFAOYSA-N
XLogP0.40
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide?
The IUPAC name of N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide (CID 145371603) is N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide?
The canonical SMILES for N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide is CC(=O)N(C)C(=O)C(C)N1C(=O)C2=CCCC=C2C1=O.
What is the InChIKey of N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide?
The InChIKey is SOGRCSUQXJVWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(12(18)15(3)9(2)17)16-13(19)10-6-4-5-7-11(10)14(16)20/h6-8H,4-5H2,1-3H3.
What are the key properties of N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide?
N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide has a molecular weight of 276.29 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-(1,3-dioxo-5,6-dihydroisoindol-2-yl)-N-methylpropanamide is sourced from PubChem (CID 145371603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).