2-(1,3-benzodioxol-5-ylmethoxy)propanamide

C11H13NO4 — CID 62900486

IUPAC2-(1,3-benzodioxol-5-ylmethoxy)propanamide
SMILESCC(OCc1ccc2c(c1)OCO2)C(N)=O
InChIInChI=1S/C11H13NO4/c1-7(11(12)13)14-5-8-2-3-9-10(4-8)16-6-15-9/h2-4,7H,5-6H2,1H3,(H2,12,13)
InChIKeyWATOTKOJIBTIKW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.81
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylmethoxy)propanamide

2-(1,3-benzodioxol-5-ylmethoxy)propanamide (PubChem CID 62900486) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethoxy)propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethoxy)propanamide
PubChem CID62900486
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(1,3-benzodioxol-5-ylmethoxy)propanamide
SMILESCC(OCc1ccc2c(c1)OCO2)C(N)=O
InChIInChI=1S/C11H13NO4/c1-7(11(12)13)14-5-8-2-3-9-10(4-8)16-6-15-9/h2-4,7H,5-6H2,1H3,(H2,12,13)
InChIKeyWATOTKOJIBTIKW-UHFFFAOYSA-N
XLogP0.81
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Piperonyl acetate
CID 9473
Piperonyl isobutyrate
CID 62580
5-(Diethoxymethyl)-1,3-benzodioxole
CID 95136
1,3-Benzodioxole-5-methanol, alpha-ethenyl-, 5-acetate
CID 36868
Piperonal propyleneglycol acetal
CID 101144
1,3-Benzodioxole, 5-(dimethoxymethyl)-
CID 100996
(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 16197094
methyl (2R)-2-acetyloxy-3-(1,3-benzodioxol-5-yl)propanoate
CID 45270556
1'-Acetoxy-2',3'-dihydrosafrole
CID 221654
2-[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]acetamide
CID 4565165
Methyl 2-acetyloxy-3-(1,3-benzodioxol-5-yl)propanoate
CID 45273144
1'-Methoxy-2',3'-dihydrosafrole
CID 3496171

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)propanamide (CID 62900486) is 2-(1,3-benzodioxol-5-ylmethoxy)propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethoxy)propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethoxy)propanamide is CC(OCc1ccc2c(c1)OCO2)C(N)=O.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethoxy)propanamide?
The InChIKey is WATOTKOJIBTIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7(11(12)13)14-5-8-2-3-9-10(4-8)16-6-15-9/h2-4,7H,5-6H2,1H3,(H2,12,13).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethoxy)propanamide?
2-(1,3-benzodioxol-5-ylmethoxy)propanamide has a molecular weight of 223.23 g/mol, XLogP of 0.81, 4 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-ylmethoxy)propanamide is sourced from PubChem (CID 62900486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).