Hydrocinnamamide, N-butyl-4-(3-(1-pyrrolidinyl)propoxy)-alpha-(p-toluoylamino)-, oxalate, (+-)-

HCID 42200

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Basic information

CAS: 57227-86-8
Standard SMILES: CCCCNC(=O)C(Cc1ccc(OCCCN2CCCC2)cc1)NC(=O)c1ccc(C)cc1.O=C(O)C(=O)O
InChIKey: FMPYGGYICIOYRY-UHFFFAOYSA-N
Molecular formula: C30H41N3O7
Average molar mass: 555.7 g/mol
Monoisotopic mass: 555.29445066

Names & identifiers

Preferred name: Hydrocinnamamide, N-butyl-4-(3-(1-pyrrolidinyl)propoxy)-alpha-(p-toluoylamino)-, oxalate, (+-)-
IUPAC: N-[1-(butylamino)-1-oxo-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-yl]-4-methylbenzamide;oxalic acid

Names & synonyms

CR 797Hydrocinnamamide, N-butyl-4-(3-(1-pyrrolidinyl)propoxy)-alpha-(p-toluoylamino)-, oxalate, (+-)-57227-86-8O-(3-Pyrrolidyl-N'-propyl)-N-toluoyl-DL-tyrosyl-n-butylamide oxalateRefChem:348294DTXSID10972704Oxalic acid--N-butyl-2-(4-methylbenzamido)-3-{4-[3-(pyrrolidin-1-yl)propoxy]phenyl}propanimidic acid (1/1)

Database identifiers

CAS: 57227-86-8
PubChem CID: 42200
DTXSID: DTXSID10972704

Properties

Computed structural properties

Topological polar surface area: 145 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 14
Heavy atoms: 40
Formal charge: 0
Complexity: 663

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