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

C18H19NO5 — CID 7730837

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-2-9-21-14-5-3-4-6-15(14)22-11-18(20)19-13-7-8-16-17(10-13)24-12-23-16/h3-8,10H,2,9,11-12H2,1H3,(H,19,20)
InChIKeyIYGPXHRMDLJZLV-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.22
Rot. Bonds7

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

N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide (PubChem CID 7730837) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
PubChem CID7730837
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-2-9-21-14-5-3-4-6-15(14)22-11-18(20)19-13-7-8-16-17(10-13)24-12-23-16/h3-8,10H,2,9,11-12H2,1H3,(H,19,20)
InChIKeyIYGPXHRMDLJZLV-UHFFFAOYSA-N
XLogP3.22
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)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-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
CID 2082414
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
2-(2-aminophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 43823034
N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1249428
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850824
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate
CID 2468396
2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethoxy]-N-benzylbenzamide
CID 7685249
N-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 7916017
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-prop-2-enylphenoxy)acetamide
CID 7707153
1-(1,3-benzodioxol-5-yl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971485
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593350

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide (CID 7730837) is N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide is CCCOc1ccccc1OCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide?
The InChIKey is IYGPXHRMDLJZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-2-9-21-14-5-3-4-6-15(14)22-11-18(20)19-13-7-8-16-17(10-13)24-12-23-16/h3-8,10H,2,9,11-12H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide has a molecular weight of 329.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide is sourced from PubChem (CID 7730837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).