Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)
Basic information
- CAS
17798-24-2- Standard SMILES
CCCC(C)C(=O)Nc1cccc(OC(=O)NC(C)CC)c1- InChIKey
OVXITHMSYWERNG-UHFFFAOYSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1943427
Names & identifiers
- Preferred name
- Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)
- IUPAC
- [3-(2-methylpentanoylamino)phenyl] N-butan-2-ylcarbamate
- English name
- N-(sec-Butyl)carbamic acid 3-[(2-methylvaleryl)amino]phenyl ester
- Molecular weight
- 0
Names & synonyms
17798-24-2Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)m-(2-Methylvaleramido)phenyl sec-butylcarbamateBRN 2151628Carbamic acid, sec-butyl-, ester with 3'-hydroxy-2-methylvaleranilideRefChem:388244[3-(2-methylpentanoylamino)phenyl] N-butan-2-ylcarbamateorb1985210SCHEMBL11867900DTXSID90939017N-(sec-Butyl)carbamic acid 3-[(2-methylvaleryl)amino]phenyl esterAKOS040754325
Show more names
N-[3-(N-sec-Butylcarbamoyloxy)phenyl]-2-methylvaleramide
Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester) is a bioactive chemical.T35021N-(3-{[(Butan-2-yl)imino](hydroxy)methoxy}phenyl)-2-methylpentanimidic acid
Database identifiers
- CAS
17798-24-2- PubChem CID
- 205347
- DTXSID
DTXSID90939017- Nikkaji
- J49.546H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…