tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate

C21H24F3NO2 — CID 160630611

IUPACtert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate
SMILESCc1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(N(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H24F3NO2/c1-13-7-15(11-17(9-13)21(22,23)24)16-8-14(2)10-18(12-16)25(6)19(26)27-20(3,4)5/h7-12H,1-6H3
InChIKeyRHWLIZZAPBOFKR-UHFFFAOYSA-N
MW379.42 g/mol
LogP6.36
Rot. Bonds2

About tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate

tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate (PubChem CID 160630611) has the molecular formula C21H24F3NO2 and a molecular weight of 379.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate
PubChem CID160630611
Molecular FormulaC21H24F3NO2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Nametert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate
SMILESCc1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(N(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C21H24F3NO2/c1-13-7-15(11-17(9-13)21(22,23)24)16-8-14(2)10-18(12-16)25(6)19(26)27-20(3,4)5/h7-12H,1-6H3
InChIKeyRHWLIZZAPBOFKR-UHFFFAOYSA-N
XLogP6.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate (CID 160630611) is tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate is Cc1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(N(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate?
The InChIKey is RHWLIZZAPBOFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO2/c1-13-7-15(11-17(9-13)21(22,23)24)16-8-14(2)10-18(12-16)25(6)19(26)27-20(3,4)5/h7-12H,1-6H3.
What are the key properties of tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate?
tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate has a molecular weight of 379.42 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[3-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]carbamate is sourced from PubChem (CID 160630611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).