N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide

C18H19NO5 — CID 2082414

IUPACN-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1OCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-2-21-14-5-3-4-6-15(14)22-10-9-18(20)19-13-7-8-16-17(11-13)24-12-23-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20)
InChIKeyDABOUTYHBLGEFI-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.22
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide

N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide (PubChem CID 2082414) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
PubChem CID2082414
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide
SMILESCCOc1ccccc1OCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-2-21-14-5-3-4-6-15(14)22-10-9-18(20)19-13-7-8-16-17(11-13)24-12-23-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20)
InChIKeyDABOUTYHBLGEFI-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

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethoxyphenoxy)acetamide
CID 2578550
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850824
1-(1,3-benzodioxol-5-yl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971485
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022229
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(2-fluorophenoxy)propanoate
CID 2468396
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2161884
3-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24561001
N-(1,3-benzodioxol-5-yl)-3-(2-propan-2-yloxyanilino)propanamide
CID 109040174
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 50928878
N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 1249428

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide (CID 2082414) is N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide is CCOc1ccccc1OCCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide?
The InChIKey is DABOUTYHBLGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-2-21-14-5-3-4-6-15(14)22-10-9-18(20)19-13-7-8-16-17(11-13)24-12-23-16/h3-8,11H,2,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(2-ethoxyphenoxy)propanamide 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)-3-(2-ethoxyphenoxy)propanamide is sourced from PubChem (CID 2082414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).