N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide

C24H28F6N2O — CID 162615299

IUPACN-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)Nc1ccc(C(c2ccc(NC(=O)C(C)(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H28F6N2O/c1-20(2,3)19(33)31-17-11-7-15(8-12-17)22(23(25,26)27,24(28,29)30)16-9-13-18(14-10-16)32-21(4,5)6/h7-14,32H,1-6H3,(H,31,33)
InChIKeyMHUZYULIMSPORD-UHFFFAOYSA-N
MW474.49 g/mol
LogP7.29
Rot. Bonds4

About N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide

N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide (PubChem CID 162615299) has the molecular formula C24H28F6N2O and a molecular weight of 474.49 g/mol. Its IUPAC name is N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide
PubChem CID162615299
Molecular FormulaC24H28F6N2O
Molecular Weight474.49 g/mol
Exact Mass474.21
IUPAC NameN-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)Nc1ccc(C(c2ccc(NC(=O)C(C)(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C24H28F6N2O/c1-20(2,3)19(33)31-17-11-7-15(8-12-17)22(23(25,26)27,24(28,29)30)16-9-13-18(14-10-16)32-21(4,5)6/h7-14,32H,1-6H3,(H,31,33)
InChIKeyMHUZYULIMSPORD-UHFFFAOYSA-N
XLogP7.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.49
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-formamidophenyl)-2,2-dimethylpropanamide
CID 64992582
2-amino-N-(4-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79791630
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
3,3,3-trifluoro-2,2-bis(4-methylanilino)-N-(4-methylphenyl)propanamide
CID 2305407
2-(ethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 62833542
1,1,1,4,4,4-hexafluorobutane-2,3-dione;N-(4-methoxyphenyl)-2,2-dimethylpropanamide
CID 158094253
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide (CID 162615299) is N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide is CC(C)(C)Nc1ccc(C(c2ccc(NC(=O)C(C)(C)C)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is MHUZYULIMSPORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F6N2O/c1-20(2,3)19(33)31-17-11-7-15(8-12-17)22(23(25,26)27,24(28,29)30)16-9-13-18(14-10-16)32-21(4,5)6/h7-14,32H,1-6H3,(H,31,33).
What are the key properties of N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide?
N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 474.49 g/mol, XLogP of 7.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(tert-butylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 162615299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).