N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide

C11H13NO4 — CID 47299436

IUPACN-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C11H13NO4/c1-7(14-2)11(13)12-8-3-4-9-10(5-8)16-6-15-9/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyPVEYODALWIWSJD-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.39
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide (PubChem CID 47299436) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
PubChem CID47299436
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C11H13NO4/c1-7(14-2)11(13)12-8-3-4-9-10(5-8)16-6-15-9/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyPVEYODALWIWSJD-UHFFFAOYSA-N
XLogP1.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-bromophenoxy)propanamide
CID 7477288
cis-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 7777788
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 2502804
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874733
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629281
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(2-methylpropyl)benzoate
CID 8538058
N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 51167835
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 42902670
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2862496

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide (CID 47299436) is N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide is COC(C)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide?
The InChIKey is PVEYODALWIWSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(14-2)11(13)12-8-3-4-9-10(5-8)16-6-15-9/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide?
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide has a molecular weight of 223.23 g/mol, XLogP of 1.39, 3 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-methoxypropanamide is sourced from PubChem (CID 47299436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).