N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide

C18H17NO4 — CID 1252935

IUPACN-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cc1C(=O)c1ccc(C)cc1)OCCO2
InChIInChI=1S/C18H17NO4/c1-11-3-5-13(6-4-11)18(21)14-9-16-17(23-8-7-22-16)10-15(14)19-12(2)20/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyQBASWUAPXAEWSW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.96
Rot. Bonds3

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

N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide (PubChem CID 1252935) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide.

Molecular Properties

Compound NameN-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide
PubChem CID1252935
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC NameN-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cc1C(=O)c1ccc(C)cc1)OCCO2
InChIInChI=1S/C18H17NO4/c1-11-3-5-13(6-4-11)18(21)14-9-16-17(23-8-7-22-16)10-15(14)19-12(2)20/h3-6,9-10H,7-8H2,1-2H3,(H,19,20)
InChIKeyQBASWUAPXAEWSW-UHFFFAOYSA-N
XLogP2.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[7-(4-methylbenzoyl)-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-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide?
The IUPAC name of N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide (CID 1252935) is N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide.
What is the SMILES notation for N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide?
The canonical SMILES for N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide is CC(=O)Nc1cc2c(cc1C(=O)c1ccc(C)cc1)OCCO2.
What is the InChIKey of N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide?
The InChIKey is QBASWUAPXAEWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-11-3-5-13(6-4-11)18(21)14-9-16-17(23-8-7-22-16)10-15(14)19-12(2)20/h3-6,9-10H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide?
N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methylbenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acetamide is sourced from PubChem (CID 1252935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).