Basic information
- CAS
17798-17-3- Standard SMILES
CCC(C)(C)C(=O)Nc1cccc(OC(=O)NC)c1- InChIKey
OBURPQOXUFCSTC-UHFFFAOYSA-N- Molecular formula
- C14H20N2O3
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.1473925
Names & identifiers
- Preferred name
- Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)
- IUPAC
- [3-(2,2-dimethylbutanoylamino)phenyl] N-methylcarbamate
- English name
- N-Methylcarbamic acid 3-[(2,2-dimethylbutyryl)amino]phenyl ester
- Molecular weight
- 0
Names & synonyms
17798-17-3BUTYRANILIDE, 2,2-DIMETHYL-3'-HYDROXY-, METHYLCARBAMATE (ester)m-(2,2-Dimethylbutyramido)phenyl methylcarbamateNSC 2225173'-(Methylcarbamoyloxy)-2,2-dimethylbutyranilideBRN 21421406T6BS6S4W6NSC-222517Butyranilide, 3'-hydroxy-2,2-dimethyl-, methylcarbamate (ester)Butanamide, 2,2-dimethyl-N-(3-(((methylamino)carbonyl)oxy)phenyl)-Carbamic acid, methyl-, ester with 3'-hydroxy-2,2-dimethylbutyranilideUNII-6T6BS6S4W6
Show more names
DTXSID30170407RefChem:122354DTXCID3092898Butanamide, 2,2-dimethyl-N-(3-(((methylamino)carbonyl)oxy)phenyl)-(9CI)[3-(2,2-dimethylbutanoylamino)phenyl] N-methylcarbamateNSC222517orb1986349N-Methylcarbamic acid 3-[(2,2-dimethylbutyryl)amino]phenyl ester
Database identifiers
- CAS
17798-17-3- PubChem CID
- 28778
- DTXSID
DTXSID30170407
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- FDA UNII
- 6 T6BS6S4W6 · 6T6BS6S4W6
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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