Ethyl 5-(dipropan-2-ylamino)-5-oxopentanoate

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Basic information

CAS: 6946-73-2
Standard SMILES: CCOC(=O)CCCC(=O)N(C(C)C)C(C)C
InChIKey: VGAJVYHZZNGSKR-UHFFFAOYSA-N
Molecular formula: C13H25NO3
Average molar mass: 243.34 g/mol
Monoisotopic mass: 243.18344366

Names & identifiers

Preferred name: Ethyl 5-(dipropan-2-ylamino)-5-oxopentanoate
IUPAC: ethyl 5-[di(propan-2-yl)amino]-5-oxopentanoate

Names & synonyms

6946-73-2ethyl 5-(dipropan-2-ylamino)-5-oxopentanoateethyl 5-[di(propan-2-yl)amino]-5-oxopentanoateNSC57355DTXSID20288707Pentanoic acid,5-[bis(1-methylethyl)amino]-5-oxo-, ethyl esterNSC-57355DS-012145

Database identifiers

CAS: 6946-73-2
PubChem CID: 245405
DTXSID: DTXSID20288707

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 17
Formal charge: 0
Complexity: 241

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