(4-Nitrophenyl) 6-(2-methylprop-2-enoylamino)hexanoate
Basic information
- CAS
57950-59-1- Standard SMILES
C=C(C)C(=O)NCCCCCC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
AZRKCYMTOFEMKT-UHFFFAOYSA-N- Molecular formula
- C16H20N2O5
- Average molar mass
- 320.34 g/mol
- Monoisotopic mass
- 320.13722174
Names & identifiers
- Preferred name
- (4-Nitrophenyl) 6-(2-methylprop-2-enoylamino)hexanoate
- IUPAC
- (4-nitrophenyl) 6-(2-methylprop-2-enoylamino)hexanoate
Names & synonyms
57950-59-1(4-nitrophenyl) 6-(2-methylprop-2-enoylamino)hexanoateNSC3015004-nitrophenyl 6-(2-methylprop-2-enamido)hexanoateSCHEMBL3795321DTXSID10316280NSC-301500
Database identifiers
- CAS
57950-59-1- PubChem CID
- 327255
- DTXSID
DTXSID10316280- Nikkaji
- J800.269J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
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Compound notes
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