3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne

HCID 41983

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Basic information

CAS: 56767-15-8
Standard SMILES: C#CC(C(=O)N(C)C)(c1ccccc1)c1ccccc1
InChIKey: QHVZDRXOVUJDMT-UHFFFAOYSA-N
Molecular formula: C18H17NO
Average molar mass: 263.3 g/mol
Monoisotopic mass: 263.13101417

Names & identifiers

Preferred name: 3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne
IUPAC: N,N-dimethyl-2,2-diphenylbut-3-ynamide

Names & synonyms

3,3-Diphenyl-3-dimethylcarbamoyl-1-propyne56767-15-8DTXSID90205320Benzeneacetamide, alpha-ethynyl-N,N-dimethyl-alpha-phenyl-RefChem:90828DTXCID90127811N,N-dimethyl-2,2-diphenylbut-3-ynamideN,N-Dimethyl-alpha-ethynyl-alpha-phenylbenzeneacetamideBENZENEACETAMIDE, N,N-DIMETHYL-alpha-ETHYNYL-alpha-PHENYL-3,3-diphenyl-3-dimethylcarbamoyl-1-propyn

Database identifiers

CAS: 56767-15-8
PubChem CID: 41983
DTXSID: DTXSID90205320

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 359

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