2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide

C17H17NO4 — CID 7894443

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCCc1ccccc1
InChIInChI=1S/C17H17NO4/c19-17(18-9-8-13-4-2-1-3-5-13)11-20-14-6-7-15-16(10-14)22-12-21-15/h1-7,10H,8-9,11-12H2,(H,18,19)
InChIKeyNCTQAJMVQKOZMM-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.15
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide (PubChem CID 7894443) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
PubChem CID7894443
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)NCCc1ccccc1
InChIInChI=1S/C17H17NO4/c19-17(18-9-8-13-4-2-1-3-5-13)11-20-14-6-7-15-16(10-14)22-12-21-15/h1-7,10H,8-9,11-12H2,(H,18,19)
InChIKeyNCTQAJMVQKOZMM-UHFFFAOYSA-N
XLogP2.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)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

2-(1,3-benzodioxol-5-yloxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 171132856
2-(4-benzoylphenoxy)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 7761229
2-(1,3-benzodioxol-5-yloxy)-N-(pyridin-4-ylmethyl)acetamide
CID 3163479
2-(4-acetylphenoxy)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]acetamide
CID 55747511
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110767409
N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-4-phenylbutanamide
CID 90576203
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 55747351
2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
CID 171659187
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
2-(1,3-benzodioxol-5-yloxy)-N-benzyl-N-phenylacetamide
CID 112978300

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide (CID 7894443) is 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide is O=C(COc1ccc2c(c1)OCO2)NCCc1ccccc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide?
The InChIKey is NCTQAJMVQKOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-17(18-9-8-13-4-2-1-3-5-13)11-20-14-6-7-15-16(10-14)22-12-21-15/h1-7,10H,8-9,11-12H2,(H,18,19).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(2-phenylethyl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 2.15, 6 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-yloxy)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7894443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).