2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide

C17H17NO4 — CID 87044762

IUPAC2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H17NO4/c1-2-20-14-6-4-13(5-7-14)18-17(19)10-12-3-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyPOUMUQFDWPIKJA-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.00
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 87044762) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID87044762
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H17NO4/c1-2-20-14-6-4-13(5-7-14)18-17(19)10-12-3-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyPOUMUQFDWPIKJA-UHFFFAOYSA-N
XLogP3.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)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

3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 113120119
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
1-[(2S)-1-(1,3-benzodioxol-5-yl)-3-phenylpropan-2-yl]-3-(4-ethoxyphenyl)urea
CID 92865359
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyanilino)propanamide
CID 109022658
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 19463936
N-(4-ethoxyphenyl)-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770791
2-(1,3-benzodioxol-5-ylmethylideneamino)oxy-N-(4-ethoxyphenyl)acetamide
CID 2695601
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyphenyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 1058687
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 87044794
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
2-(1,3-benzodioxol-5-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107512

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide (CID 87044762) is 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is POUMUQFDWPIKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-20-14-6-4-13(5-7-14)18-17(19)10-12-3-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 87044762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).