Cyclopropanecarboxamide, N-(3-methylbutyl)-2-(phenoxymethyl)-, trans-

HCID 59686

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Basic information

CAS: 102617-14-1
Standard SMILES: CC(C)CCNC(=O)[C@@H]1C[C@H]1COc1ccccc1
InChIKey: PMDDWBSJSVMEBN-DZGCQCFKSA-N
Molecular formula: C16H23NO2
Average molar mass: 261.36 g/mol
Monoisotopic mass: 261.17287898

Names & identifiers

Preferred name: Cyclopropanecarboxamide, N-(3-methylbutyl)-2-(phenoxymethyl)-, trans-
IUPAC: cis-(1R,2R)-N-(3-methylbutyl)-2-(phenoxymethyl)cyclopropane-1-carboxamide

Names & synonyms

BRN 5563736CYCLOPROPANECARBOXAMIDE, N-(3-METHYLBUTYL)-2-(PHENOXYMETHYL)-, trans-102617-14-1DTXSID10145411trans-N-(3-Methylbutyl)-2-(phenoxymethyl)cyclopropanecarboxamideRefChem:336215DTXCID7067902(1R,2R)-N-(3-methylbutyl)-2-(phenoxymethyl)cyclopropane-1-carboxamide

Database identifiers

CAS: 102617-14-1
PubChem CID: 59686
DTXSID: DTXSID10145411

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 284

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