2-(2-{[4-(benzyloxy)phenyl]amino}-2-oxoethoxy)-N-(4-nitrophenyl)acetamide

HCID 3929692

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Basic information

CAS: 755002-91-6
Standard SMILES: O=C(COCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(OCc2ccccc2)cc1
InChIKey: GRYATVZRAVECTP-UHFFFAOYSA-N
Molecular formula: C23H21N3O6
Average molar mass: 435.4 g/mol
Monoisotopic mass: 435.1430354

Names & identifiers

Preferred name: 2-(2-{[4-(benzyloxy)phenyl]amino}-2-oxoethoxy)-N-(4-nitrophenyl)acetamide
IUPAC: N-(4-nitrophenyl)-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide

Names & synonyms

2-(2-{[4-(benzyloxy)phenyl]amino}-2-oxoethoxy)-N-(4-nitrophenyl)acetamideDTXSID301133671STK125874AKOS005401837755002-91-62-{2-[4-(Benzyloxy)anilino]-2-oxoethoxy}-N-(4-nitrophenyl)acetamideAcetamide, 2-[2-[(4-nitrophenyl)amino]-2-oxoethoxy]-N-[4-(phenylmethoxy)phenyl]-

Database identifiers

CAS: 755002-91-6
PubChem CID: 3929692
DTXSID: DTXSID301133671

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 122 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 32
Formal charge: 0
Complexity: 603

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