N-(1-hydroxypentan-2-yl)benzo[d][1,3]dioxole-5-carboxamide

HCID 66775475
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Basic information

Standard SMILES
CCCC(CO)NC(=O)c1ccc2c(c1)OCO2
InChIKey
SEJMHKDVDKDGFX-UHFFFAOYSA-N
Molecular formula
C13H17NO4
Average molar mass
251.28 g/mol
Monoisotopic mass
251.11575802

Names & identifiers

Preferred name
N-(1-hydroxypentan-2-yl)benzo[d][1,3]dioxole-5-carboxamide
IUPAC
N-(1-hydroxypentan-2-yl)-1,3-benzodioxole-5-carboxamide

Names & synonyms

SCHEMBL709734SEJMHKDVDKDGFX-UHFFFAOYSA-NN-(1-hydroxypentan-2-yl)benzo[d][1,3]dioxole-5-carboxamide

Database identifiers

PubChem CID
66775475

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
67.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
18

Related reactions

4 records
New reaction record

Linked notes

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