N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
Basic information
- CAS
157947-87-0- Standard SMILES
CN(C(=O)Cc1ccccc1)[C@H](CN1CCCC1)c1ccccc1- InChIKey
OVZWUDZIAAHNFG-HXUWFJFHSA-N- Molecular formula
- C21H26N2O
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.20451346
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
- IUPAC
- N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
- English name
- N-methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamide
- Molecular formula
- C21H26N2O
- Molecular weight
- 322.44
Names & synonyms
Mppepa157947-87-00G3RS2P5HFN-Methyl-N-(1-phenyl-2-(1-pyrrolidinyl)ethyl)phenylacetamideRefChem:927246CHEMBL94734n-methyl-2-phenyl-n-[(1s)-1-phenyl-2-(pyrrolidin-1-yl)ethyl]acetamideTocris-0783N-MPPPUNII-0G3RS2P5HFSCHEMBL8061918DTXSID90935832
Show more names
Benzeneacetamide, N-methyl-N-[(1S)-1-phenyl-2-(1-pyrrolidinyl)ethyl]-
BDBM50039966NCGC00024789-01NCGC00024789-02NCGC00024789-03NCGC00024789-04PD071360BRD-K93806173-003-01-8Q27236737
Database identifiers
- CAS
157947-87-0- PubChem CID
- 190901
- DTXSID
DTXSID90935832- ChEMBL
CHEMBL94734- UNII
- 0G3RS2P5HF
- Nikkaji
- J612.500J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- Boiling point
- 486.632 · 486.632±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.099 · 1.099±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.763 · 8.763±0.20(predicted)
- FDA UNII
- 0 G3RS2P5HF · 0G3RS2P5HF
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Related reactions
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Compound notes
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