N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide

C17H17NO4 — CID 674928

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C17H17NO4/c1-11-4-3-5-14(12(11)2)20-9-17(19)18-13-6-7-15-16(8-13)22-10-21-15/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyGMHPWBXNSATUAQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.05
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 674928) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide
PubChem CID674928
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C17H17NO4/c1-11-4-3-5-14(12(11)2)20-9-17(19)18-13-6-7-15-16(8-13)22-10-21-15/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeyGMHPWBXNSATUAQ-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide (CID 674928) is N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCO3)c1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is GMHPWBXNSATUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-4-3-5-14(12(11)2)20-9-17(19)18-13-6-7-15-16(8-13)22-10-21-15/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 299.33 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 674928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).