2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide

C17H17NO3 — CID 110857163

IUPAC2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2cccc3c2OCO3)c(C)c1
InChIInChI=1S/C17H17NO3/c1-11-6-7-14(12(2)8-11)18-16(19)9-13-4-3-5-15-17(13)21-10-20-15/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeySHGQCSIDGOVOHW-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.21
Rot. Bonds3

About 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide

2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 110857163) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID110857163
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2cccc3c2OCO3)c(C)c1
InChIInChI=1S/C17H17NO3/c1-11-6-7-14(12(2)8-11)18-16(19)9-13-4-3-5-15-17(13)21-10-20-15/h3-8H,9-10H2,1-2H3,(H,18,19)
InChIKeySHGQCSIDGOVOHW-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide
CID 110861232
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108947199
2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
CID 63590839
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 9314614
1-(1,3-benzodioxol-4-yl)-N-[(2-bromo-4-methylphenyl)methyl]methanamine
CID 115556709
2-[1-(1,3-benzodioxol-4-ylmethylamino)ethyl]-5-methylphenol
CID 61212273
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
2-(1,3-benzodioxol-4-ylmethylamino)-4-methylbenzonitrile
CID 62307446
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
N-(2,4-dimethylphenyl)-2-(1H-pyrrol-2-yl)acetamide
CID 110690882
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide (CID 110857163) is 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cc2cccc3c2OCO3)c(C)c1.
What is the InChIKey of 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is SHGQCSIDGOVOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-6-7-14(12(2)8-11)18-16(19)9-13-4-3-5-15-17(13)21-10-20-15/h3-8H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 283.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 110857163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).