N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2,6-bis(1-methylethoxy)benzamide

HCID 54948

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Basic information

CAS: 82952-66-7
Standard SMILES: CCN1CCCC1CNC(=O)c1c(OC(C)C)cccc1OC(C)C
InChIKey: PNYHUCVZDPPOTQ-UHFFFAOYSA-N
Molecular formula: C20H32N2O3
Average molar mass: 348.5 g/mol
Monoisotopic mass: 348.24129289

Names & identifiers

Preferred name: N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2,6-bis(1-methylethoxy)benzamide
IUPAC: N-[(1-ethylpyrrolidin-2-yl)methyl]-2,6-di(propan-2-yloxy)benzamide

Names & synonyms

CHEMBL1193500DTXSID30116091382952-66-7N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2,6-bis(1-methylethoxy)benzamideN-[(1-Ethylpyrrolidin-2-yl)methyl]-2,6-bis[(propan-2-yl)oxy]benzamide

Database identifiers

CAS: 82952-66-7
PubChem CID: 54948
DTXSID: DTXSID301160913
ChEMBL: CHEMBL1193500
Nikkaji: J386.205D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 396

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