Basic information
- CAS
95001-09-5- Standard SMILES
CCCCOCCCCOc1ccccc1C(=O)NCCN1CCCC1- InChIKey
YETMQXNJTBODLN-UHFFFAOYSA-N- Molecular formula
- C21H34N2O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.25694295
Names & identifiers
- Preferred name
- Benzamide, o-(4-butoxybutoxy)-N-(2-(1-pyrrolidinyl)ethyl)-
- IUPAC
- 2-(4-butoxybutoxy)-N-(2-pyrrolidin-1-ylethyl)benzamide
- English name
- o-(4-Butoxybutoxy)-N-[2-(1-pyrrolidinyl)ethyl]benzamide
- Molecular formula
- C21H34N2O3
- Molecular weight
- 362.51
Names & synonyms
BENZAMIDE, o-(4-BUTOXYBUTOXY)-N-(2-(1-PYRROLIDINYL)ETHYL)-HG 157095001-09-5o-(4-Butoxybutoxy)-N-(2-(1-pyrrolidinyl)ethyl)benzamideDTXSID30241722RefChem:322538DTXCID601642132-(4-butoxybutoxy)-N-(2-pyrrolidin-1-ylethyl)benzamide2-(4-butoxybutoxy)-N-[2-(pyrrolidin-1-yl)ethyl]benzamideHG-1570o-(4-Butoxybutoxy)-N-[2-(1-pyrrolidinyl)ethyl]benzamideBenzamide, 2-(4-butoxybutoxy)-N-[2-(1-pyrrolidinyl)ethyl]-
Database identifiers
- CAS
95001-09-5- PubChem CID
- 56845
- DTXSID
DTXSID30241722- Nikkaji
- J149.050H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 526.9 · 526.9±45.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- pka
- 14 · 14+-.0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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