Pantothenamide
Basic information
- CAS
7757-97-3- Standard SMILES
CC(C)(CO)C(O)C(=O)NCCC(N)=O- InChIKey
AMMYIDAXRNSZSJ-UHFFFAOYSA-N- Molecular formula
- C9H18N2O4
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.12665706
Overview
Pantothenamide is an organonitrogen compound and an organooxygen compound. It is functionally related to a beta-amino acid.
Names & identifiers
- Preferred name
- Pantothenamide
- IUPAC
- N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
Names & synonyms
PantothenamideN-(2-carbamoylethyl)-2,4-dihydroxy-3,3-dimethylbutanamideRefChem:1699107757-97-3N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamideNSC523294SCHEMBL6674120CHEBI:178678Butyramide,4-dihydroxy-3,3-dimethyl-, D-DS-007379NS00120140Butanamide,4-dihydroxy-3,3-dimethyl-, (R)-
Show more names
Butyramide, n-(2-carbamoylethyl)-2,4-dihydroxy-3, 3-dimethyl-, d-
Database identifiers
- CAS
7757-97-3- PubChem CID
- 24443
- ChEBI
CHEBI:178678
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Experimental & physicochemical properties
Melting Point114 - 116 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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