Basic information
- CAS
13349-33-2- Standard SMILES
CCCOC(=O)C(CCCN(C)C)(c1cccc2ccccc12)C(C)C- InChIKey
OEKSQKIRLROKDH-UHFFFAOYSA-N- Molecular formula
- C23H33NO2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.2511293
Names & identifiers
- Preferred name
- 1-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-isopropyl-, propyl ester
- IUPAC
- propyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
- English name
- α-[3-(Dimethylamino)propyl]-α-isopropyl-1-naphthaleneacetic acid propyl ester
- Molecular formula
- C23H33NO2
- Molecular weight
- 355.51
Names & synonyms
13349-33-21-Naphthaleneacetic acid, alpha-(3-(dimethylamino)propyl)-alpha-isopropyl-, propyl esterRefChem:1055947alpha-(3-(Dimethylamino)propyl)-alpha-isopropyl-1-naphthaleneacetic acid propyl esteralpha-[3-(Dimethylamino)propyl]-alpha-isopropyl-1-naphthaleneacetic acid propyl esterBRN 2770991propyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoatepropyl 5-(dimethylamino)-2-(naphthalen-1-yl)-2-(propan-2-yl)pentanoateDTXSID70928146α-[3-(Dimethylamino)propyl]-α-isopropyl-1-naphthaleneacetic acid propyl ester1-Naphthaleneacetic acid, α-[3-(dimethylamino)propyl]-α-(1-methylethyl)-, propyl ester
Database identifiers
- CAS
13349-33-2- PubChem CID
- 25899
- DTXSID
DTXSID70928146- Nikkaji
- J42.391B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…