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

C17H17NO4 — CID 732520

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H17NO4/c1-12-3-2-4-14(9-12)22-11-17(19)18-13-5-6-15-16(10-13)21-8-7-20-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,19)
InChIKeyABBWFJBOLZKJER-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.78
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 732520) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide
PubChem CID732520
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C17H17NO4/c1-12-3-2-4-14(9-12)22-11-17(19)18-13-5-6-15-16(10-13)21-8-7-20-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,19)
InChIKeyABBWFJBOLZKJER-UHFFFAOYSA-N
XLogP2.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide (CID 732520) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is ABBWFJBOLZKJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-12-3-2-4-14(9-12)22-11-17(19)18-13-5-6-15-16(10-13)21-8-7-20-15/h2-6,9-10H,7-8,11H2,1H3,(H,18,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 299.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 732520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).