(2-Ethoxy-2-oxoethyl) 3-carbamoyl-1,4-bis(2-ethoxy-2-oxoethyl)piperazine-2-carboxylate

HCID 337408

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Basic information

CAS: 79744-12-0
Standard SMILES: CCOC(=O)COC(=O)C1C(C(N)=O)N(CC(=O)OCC)CCN1CC(=O)OCC
InChIKey: BZAGVTHVTJIHLT-UHFFFAOYSA-N
Molecular formula: C18H29N3O9
Average molar mass: 431.4 g/mol
Monoisotopic mass: 431.19037951

Names & identifiers

Preferred name: (2-Ethoxy-2-oxoethyl) 3-carbamoyl-1,4-bis(2-ethoxy-2-oxoethyl)piperazine-2-carboxylate
IUPAC: (2-ethoxy-2-oxoethyl) 3-carbamoyl-1,4-bis(2-ethoxy-2-oxoethyl)piperazine-2-carboxylate

Names & synonyms

NSC35527279744-12-0DTXSID30320122NSC-355272(2-ethoxy-2-oxo-ethyl) 3-carbamoyl-1,4-bis(2-ethoxy-2-oxo-ethyl)piperazine-2-carboxylate2-Ethoxy-2-oxoethyl 3-(aminocarbonyl)-1,4-bis(2-ethoxy-2-oxoethyl)piperazine-2-carboxylate2-Ethoxy-2-oxoethyl 3-carbamoyl-1,4-bis(2-ethoxy-2-oxoethyl)piperazine-2-carboxylate

Database identifiers

CAS: 79744-12-0
PubChem CID: 337408
DTXSID: DTXSID30320122

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 155 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 11
Rotatable bonds: 15
Heavy atoms: 30
Formal charge: 0
Complexity: 640

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