N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C12H13NO4 — CID 652324

IUPACN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1C(C)=O)OCCO2
InChIInChI=1S/C12H13NO4/c1-7(14)9-5-11-12(17-4-3-16-11)6-10(9)13-8(2)15/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyVVZPWIBZIOPBLT-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.62
Rot. Bonds2

About N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 652324) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID652324
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC NameN-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1C(C)=O)OCCO2
InChIInChI=1S/C12H13NO4/c1-7(14)9-5-11-12(17-4-3-16-11)6-10(9)13-8(2)15/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyVVZPWIBZIOPBLT-UHFFFAOYSA-N
XLogP1.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide 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-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 652324) is N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is CC(=O)Nc1cc2c(cc1C(C)=O)OCCO2.
What is the InChIKey of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is VVZPWIBZIOPBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7(14)9-5-11-12(17-4-3-16-11)6-10(9)13-8(2)15/h5-6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 235.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 652324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).