Benzamide, 3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)-
Basic information
- CAS
84226-07-3- Standard SMILES
CCc1ccc(OC)c(C(=O)NC[C@@H]2CCCN2CC)c1O- InChIKey
YMTZSXGHAFKWEQ-ZDUSSCGKSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1943427
Names & identifiers
- Preferred name
- Benzamide, 3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)-
- IUPAC
- 3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
- English name
- Benzamide, 3-ethyl-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-6-methoxy-
- Molecular formula
- C17H26N2O3
- Molecular weight
- 306.4
Names & synonyms
BRN 4321907BENZAMIDE, 3-ETHYL-N-((1-ETHYL-2-PYRROLIDINYL)METHYL)-2-HYDROXY-6-METHOXY-, (S)-84226-07-3DTXSID90233148(S)-3-Ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxybenzamideRefChem:321546DTXCID90155639CHEMBL23403BDBM50026059PDSP2_0009133-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2-hydroxy-6-methoxybenzamide3-Ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide
Show more names
Benzamide, 3-ethyl-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-6-methoxy-
Database identifiers
- CAS
84226-07-3- PubChem CID
- 55217
- DTXSID
DTXSID90233148- ChEMBL
CHEMBL23403- Nikkaji
- J528.108C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Boiling point
- 434.7 · 434.7±45.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- pka
- 8.15 · 8.15±0.40(Predicted)
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Compound notes
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