N-[2-[(3,3-dimethyloxirane-2-carbonyl)amino]ethyl]-3,3-dimethyloxirane-2-carboxamide

HCID 351306

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Basic information

CAS: 91638-38-9
Standard SMILES: CC1(C)OC1C(=O)NCCNC(=O)C1OC1(C)C
InChIKey: BOMAGJANFAULSL-UHFFFAOYSA-N
Molecular formula: C12H20N2O4
Average molar mass: 256.3 g/mol
Monoisotopic mass: 256.14230712

Names & identifiers

Preferred name: N-[2-[(3,3-dimethyloxirane-2-carbonyl)amino]ethyl]-3,3-dimethyloxirane-2-carboxamide
IUPAC: N-[2-[(3,3-dimethyloxirane-2-carbonyl)amino]ethyl]-3,3-dimethyloxirane-2-carboxamide

Names & synonyms

NSC52079291638-38-9DTXSID00325866NSC-520792DS-011887N,N'-(Ethane-1,2-diyl)bis(3,3-dimethyloxirane-2-carboxamide)N-[2-[(3,3-dimethyloxirane-2-carbonyl)amino]ethyl]-3,3-dimethyl-oxirane-2-carboxamide

Database identifiers

CAS: 91638-38-9
PubChem CID: 351306
DTXSID: DTXSID00325866

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 83.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 342

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