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

C18H19NO4 — CID 53266903

IUPACN-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
SMILESCCc1cccc(OC(C)C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H19NO4/c1-3-13-5-4-6-15(9-13)23-12(2)18(20)19-14-7-8-16-17(10-14)22-11-21-16/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKeyAZYWPCUDXWYDEM-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.38
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide (PubChem CID 53266903) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
PubChem CID53266903
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide
SMILESCCc1cccc(OC(C)C(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H19NO4/c1-3-13-5-4-6-15(9-13)23-12(2)18(20)19-14-7-8-16-17(10-14)22-11-21-16/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKeyAZYWPCUDXWYDEM-UHFFFAOYSA-N
XLogP3.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-nitrophenoxy)propanamide
CID 7865187
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3-nitrophenoxy)propanamide
CID 7865185
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-bromophenoxy)propanamide
CID 7477288
butyl 4-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]oxybenzoate
CID 7984447
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874733
2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 53267152
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
CID 7509615
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethylphenoxy)propanamide
CID 30384284

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide (CID 53266903) is N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide is CCc1cccc(OC(C)C(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide?
The InChIKey is AZYWPCUDXWYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-13-5-4-6-15(9-13)23-12(2)18(20)19-14-7-8-16-17(10-14)22-11-21-16/h4-10,12H,3,11H2,1-2H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide?
N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide has a molecular weight of 313.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(3-ethylphenoxy)propanamide is sourced from PubChem (CID 53266903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).