{[2-(Heptanoyloxy)propanoyl]imino}diethane-2,1-diyl diheptanoate

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Basic information

CAS: 7146-54-5
Standard SMILES: CCCCCCC(=O)OCCN(CCOC(=O)CCCCCC)C(=O)C(C)OC(=O)CCCCCC
InChIKey: DRWKJEYCVKSVDQ-UHFFFAOYSA-N
Molecular formula: C28H51NO7
Average molar mass: 513.7 g/mol
Monoisotopic mass: 513.36655297

Names & identifiers

Preferred name: {[2-(Heptanoyloxy)propanoyl]imino}diethane-2,1-diyl diheptanoate
IUPAC: 2-[2-heptanoyloxyethyl(2-heptanoyloxypropanoyl)amino]ethyl heptanoate

Names & synonyms

7146-54-5{[2-(heptanoyloxy)propanoyl]imino}diethane-2,1-diyl diheptanoateNSC23469DTXSID00281913NSC-23469heptanoic acid 1-[bis-(2-heptanoyloxy-ethyl)-carbamoyl]-ethyl ester{[2-(Heptanoyloxy)propanoyl]azanediyl}di(ethane-2,1-diyl) diheptanoate

Database identifiers

CAS: 7146-54-5
PubChem CID: 229648
DTXSID: DTXSID00281913

Properties

Computed structural properties

XLogP: 7.2
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 26
Heavy atoms: 36
Formal charge: 0
Complexity: 579

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Compound notes

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