Basic information
- CAS
17814-28-7- Standard SMILES
CCCCC(=O)Nc1cccc(OC(=O)NC)c1- InChIKey
JRMUCETZFNOFMW-UHFFFAOYSA-N- Molecular formula
- C13H18N2O3
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.13174244
Names & identifiers
- Preferred name
- Valeranilide, 3'-hydroxy-, methylcarbamate (ester)
- IUPAC
- [3-(pentanoylamino)phenyl] N-methylcarbamate
- English name
- N-[3-(N-Methylcarbamoyloxy)phenyl]valeramide
- Molecular weight
- 0
Names & synonyms
17814-28-73'-(Methylcarbamoyloxy)valeranilideKA7OOJ1OBWValeranilide, 3'-hydroxy-, methylcarbamate (ester)NSC 222515BRN 2133672Valeranilide, 3'-hydroxy-, methylcarbamateUNII-KA7OOJ1OBWCarbamic acid, methyl-, ester with 3'-hydroxyvaleranilideNSC-222515Pentanamide, N-(3-(((methylamino)carbonyl)oxy)phenyl)-DTXSID90170428
Show more names
N-Methylcarbamic acid 3-(valerylamino)phenyl ester
Pentanamide, N-[3-[[(methylamino)carbonyl]oxy]phenyl]-RefChem:193551DTXCID9092919Pentanamide, N-(3-(((methylamino)carbonyl)oxy)phenyl)-(9CI)m-Valeramidophenyl methylcarbamate[3-(pentanoylamino)phenyl] N-methylcarbamateN-[3-(N-Methylcarbamoyloxy)phenyl]valeramide3-Pentanamidophenyl methylcarbamate
Database identifiers
- CAS
17814-28-7- PubChem CID
- 99423
- DTXSID
DTXSID90170428- UNII
- KA7OOJ1OBW
- Nikkaji
- J49.544A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- FDA UNII
- 7 OOJ1OBW · KA7OOJ1OBW
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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