[5-(Methyl-propyl-amino)-2-nitro-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

HCID 69487144
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCN(C)c1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F
InChIKey
KVLYBUAHJPTZFY-UHFFFAOYSA-N
Molecular formula
C16H22F3N3O4
Average molar mass
377.36 g/mol
Monoisotopic mass
377.15624068

Names & identifiers

Preferred name
[5-(Methyl-propyl-amino)-2-nitro-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[5-[methyl(propyl)amino]-2-nitro-4-(trifluoromethyl)phenyl]carbamate

Names & synonyms

[5-(Methyl-propyl-amino)-2-nitro-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl esterSCHEMBL5558433

Database identifiers

PubChem CID
69487144

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
87.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
26

Related reactions

5 records
New reaction record

Linked notes

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