N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenylmethoxyphenyl)acetamide

HCID 280220

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Basic information

CAS: 5884-31-1
Standard SMILES: COc1ccc(CCNC(=O)Cc2ccc(OCc3ccccc3)cc2)cc1OC
InChIKey: BRPKXQPBBSTDCG-UHFFFAOYSA-N
Molecular formula: C25H27NO4
Average molar mass: 405.5 g/mol
Monoisotopic mass: 405.19400834

Names & identifiers

Preferred name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenylmethoxyphenyl)acetamide
IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-phenylmethoxyphenyl)acetamide

Names & synonyms

5884-31-1NSC131666DTXSID90974347AKOS004907267NSC-131666[4-(Benzyloxy)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanimidic acid2-[4-(Benzyloxy)phenyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanimidic acid

Database identifiers

CAS: 5884-31-1
PubChem CID: 280220
DTXSID: DTXSID90974347
Nikkaji: J1.969.571I

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 56.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 30
Formal charge: 0
Complexity: 486

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