Basic information
- CAS
17814-27-6- Standard SMILES
CCCC(=O)Nc1cccc(OC(=O)NC)c1- InChIKey
GHLKYRZGJLDUAG-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- 3'-Hydroxybutranilide methylcarbamic acid ester
- IUPAC
- [3-(butanoylamino)phenyl] N-methylcarbamate
- English name
- N-[3-(Methylcarbamoyloxy)phenyl]butyramide
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
Stauffer R 1246617814-27-6Y2U3UWS0O3NSC-222514Butanamide, N-(3-(((methylamino)carbonyl)oxy)phenyl)-BUTYRANILIDE, 3'-HYDROXY-, METHYLCARBAMATE (ester)3'-Hydroxybutranilide methylcarbamic acid esterDTXSID30170427R-12466Carbamic acid, methyl-, ester with 3'-hydroxybutyranilideButanamide, N-[3-[[(methylamino)carbonyl]oxy]phenyl]-RefChem:1065410
Show more names
N-[3-(Methylcarbamoyloxy)phenyl]butyramideN-[3-[[(Methylamino)carbonyl]oxy]phenyl]butanamide
DTXCID4092918m-Butyramidophenyl methylcarbamate3'-(Methylcarbamoyloxy)butyranilide[3-(butanoylamino)phenyl] N-methylcarbamateR 12466NSC 222514BRN 2130852AI3-27637
Database identifiers
- CAS
17814-27-6- PubChem CID
- 28783
- DTXSID
DTXSID30170427- UNII
- Y2U3UWS0O3
- Nikkaji
- J14.891A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 176 · 176-177 °C
- Boiling point
- 410.9 · 410.9±37.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 12.18 · 12.18±0.46(Predicted)
- FDA UNII
- 2 U3UWS0O3 · Y2U3UWS0O3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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