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N-(1,3-benzodioxol-5-yl)-3-butyloxirane-2-carboxamide

HCID 17851013
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCCCC1OC1C(=O)Nc1ccc2c(c1)OCO2
InChIKey
GAGDWOVYJFUHPF-UHFFFAOYSA-N
Molecular formula
C14H17NO4
Average molar mass
263.29 g/mol
Monoisotopic mass
263.11575802

Names & identifiers

Preferred name
N-(1,3-benzodioxol-5-yl)-3-butyloxirane-2-carboxamide
IUPAC
N-(1,3-benzodioxol-5-yl)-3-butyloxirane-2-carboxamide

Database identifiers

PubChem CID
17851013

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
60.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
335

Related reactions

2 records
New reaction record
HRID 166052 reaction equation
HRID 166052As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 200964 reaction equation
HRID 200964As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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