2-(1,3-benzodioxol-5-yloxy)butanamide

C11H13NO4 — CID 62901253

IUPAC2-(1,3-benzodioxol-5-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)OCO2)C(N)=O
InChIInChI=1S/C11H13NO4/c1-2-8(11(12)13)16-7-3-4-9-10(5-7)15-6-14-9/h3-5,8H,2,6H2,1H3,(H2,12,13)
InChIKeyAPVQAHLUJSQVEG-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.06
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)butanamide

2-(1,3-benzodioxol-5-yloxy)butanamide (PubChem CID 62901253) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)butanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)butanamide
PubChem CID62901253
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(1,3-benzodioxol-5-yloxy)butanamide
SMILESCCC(Oc1ccc2c(c1)OCO2)C(N)=O
InChIInChI=1S/C11H13NO4/c1-2-8(11(12)13)16-7-3-4-9-10(5-7)15-6-14-9/h3-5,8H,2,6H2,1H3,(H2,12,13)
InChIKeyAPVQAHLUJSQVEG-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
CID 63095013
3-(1,3-benzodioxol-5-yloxy)pentanoic acid
CID 114990501
2-[(3-amino-2,3-dihydro-1-benzofuran-6-yl)oxy]butanamide
CID 63097258
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826
2-(1,3-benzodioxol-5-yloxy)-N-(2-benzylphenyl)butanamide
CID 45148281
2-(1,3-benzodioxol-5-yloxy)propan-1-amine
CID 22688832
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
(3R)-3-(1,3-benzodioxol-5-yloxy)butanoic acid
CID 93105125
N-(1,3-benzodioxol-5-yl)-2-phenoxybutanamide
CID 2932623
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92676118
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)butanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)butanamide (CID 62901253) is 2-(1,3-benzodioxol-5-yloxy)butanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)butanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)butanamide is CCC(Oc1ccc2c(c1)OCO2)C(N)=O.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)butanamide?
The InChIKey is APVQAHLUJSQVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-8(11(12)13)16-7-3-4-9-10(5-7)15-6-14-9/h3-5,8H,2,6H2,1H3,(H2,12,13).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)butanamide?
2-(1,3-benzodioxol-5-yloxy)butanamide has a molecular weight of 223.23 g/mol, XLogP of 1.06, 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-yloxy)butanamide is sourced from PubChem (CID 62901253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).