1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate

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Basic information

CAS: 50836-29-8
Standard SMILES: CCN(CC)CCNC(=O)CC1(C)Oc2ccc(C)cc2O1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey: JJDQHMIFCMIRLG-UHFFFAOYSA-N
Molecular formula: C23H34N2O10
Average molar mass: 498.5 g/mol
Monoisotopic mass: 498.22134529

Names & identifiers

Preferred name: 1,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrate
IUPAC: N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-benzodioxol-2-yl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
English name: N-(2-Diethylaminoethyl)-2,5-dimethyl-1,3-benzodioxole-2-acetamide
Molecular formula: C17H26N2O3
Molecular weight: 306.4

Names & synonyms

50836-29-81,3-Benzodioxole-2-acetamide, N-(2-diethylaminoethyl)-2,5-dimethyl-, citrateN-(2-Diethylaminoethyl)-2,5-dimethyl-1,3-benzodioxole-2-acetamide citrateRefChem:217897DTXSID109650752-Hydroxypropane-1,2,3-tricarboxylic acid--N-[2-(diethylamino)ethyl](2,5-dimethyl-2H-1,3-benzodioxol-2-yl)ethanimidic acid (1/1)2-Hydroxypropane-1,2,3-tricarboxylic acid--N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-2H-1,3-benzodioxol-2-yl)ethanimidic acid (1/1)N-(2-Diethylaminoethyl)-2,5-dimethyl-1,3-benzodioxole-2-acetamide1,3-Benzodioxole-2-acetamide, N-[2-(diethylamino)ethyl]-2,5-dimethyl-

Database identifiers

CAS: 50836-29-8
PubChem CID: 39826
DTXSID: DTXSID10965075

Properties

Computed structural properties

Topological polar surface area: 183 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 11
Rotatable bonds: 12
Heavy atoms: 35
Formal charge: 0
Complexity: 600

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