1-Adamantanecarboxamide, N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-
Basic information
- CAS
77694-21-4- Standard SMILES
CC1(C)CC(NC(=O)C23CC4CC(CC(C4)C2)C3)C(=O)O1- InChIKey
CQJVJQSDDBROOJ-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Names & identifiers
- Preferred name
- 1-Adamantanecarboxamide, N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-
- IUPAC
- N-(5,5-dimethyl-2-oxooxolan-3-yl)adamantane-1-carboxamide
Names & synonyms
77694-21-41-ADAMANTANECARBOXAMIDE, N-(5,5-DIMETHYL-2-OXOTETRAHYDRO-3-FURYL)-RefChem:1054802N-(5,5-Dimethyl-2-oxotetrahydro-3-furyl)-1-adamantanecarboxamideBRN 5588770DTXSID10998888N-(5,5-Dimethyl-2-oxooxolan-3-yl)adamantane-1-carboximidic acid
Database identifiers
- CAS
77694-21-4- PubChem CID
- 53713
- DTXSID
DTXSID10998888- Nikkaji
- J73.384I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
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Compound notes
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