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

C17H17NO4 — CID 87044794

IUPAC2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-2-20-14-6-4-3-5-13(14)18-17(19)10-12-7-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyVSMLLCLZTNCZIV-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.00
Rot. Bonds5

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

2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide (PubChem CID 87044794) 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-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
PubChem CID87044794
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO4/c1-2-20-14-6-4-3-5-13(14)18-17(19)10-12-7-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyVSMLLCLZTNCZIV-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

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-ethoxyphenyl)acetamide
CID 110422203
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-ethoxyphenyl)propanamide
CID 9444487
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]thiourea
CID 5174533
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethoxyphenyl)-1-[(4-methylphenyl)methyl]thiourea
CID 4198958
N-(2-ethoxyphenyl)-2-(3-hydroxyphenyl)acetamide
CID 61399878
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-methoxyphenyl)propanediamide
CID 108947229
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110767511
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107552
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 113198740

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide (CID 87044794) is 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is VSMLLCLZTNCZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-20-14-6-4-3-5-13(14)18-17(19)10-12-7-8-15-16(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-(2-ethoxyphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(2-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-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 87044794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).