N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide

C22H26F3NO2 — CID 44602992

IUPACN-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide
SMILESCc1cc(OCc2ccc(C(F)(F)F)cc2)cc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C22H26F3NO2/c1-14-10-18(11-15(2)20(14)26-19(27)12-21(3,4)5)28-13-16-6-8-17(9-7-16)22(23,24)25/h6-11H,12-13H2,1-5H3,(H,26,27)
InChIKeySLTJLEMSLDUKIO-UHFFFAOYSA-N
MW393.45 g/mol
LogP6.28
Rot. Bonds5

About N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide

N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide (PubChem CID 44602992) has the molecular formula C22H26F3NO2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide
PubChem CID44602992
Molecular FormulaC22H26F3NO2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide
SMILESCc1cc(OCc2ccc(C(F)(F)F)cc2)cc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C22H26F3NO2/c1-14-10-18(11-15(2)20(14)26-19(27)12-21(3,4)5)28-13-16-6-8-17(9-7-16)22(23,24)25/h6-11H,12-13H2,1-5H3,(H,26,27)
InChIKeySLTJLEMSLDUKIO-UHFFFAOYSA-N
XLogP6.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4,6-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]-3,3-dimethylbutanamide
CID 25191231
2-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzoic acid
CID 117220530
[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamic acid
CID 68707179
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
N-[2,6-dimethyl-4-[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]phenyl]-3,3-dimethylbutanamide
CID 24937078
1-[2,6-dimethyl-4-[(4-methylphenyl)methoxy]phenyl]-4,4-dimethylpentan-2-one
CID 148907812
N-[5-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]acetamide
CID 135394741
[2-(2,6-dimethyl-4-phenylmethoxyanilino)-2-oxoethyl]-diethylazanium chloride
CID 26961
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
methyl 2,2-dimethyl-4-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]butanoate
CID 146593777
2,2-dimethylbutane;4-[(4-fluorophenyl)methoxy]-N,2,6-trimethylaniline;formaldehyde
CID 143927879

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide (CID 44602992) is N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide is Cc1cc(OCc2ccc(C(F)(F)F)cc2)cc(C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide?
The InChIKey is SLTJLEMSLDUKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO2/c1-14-10-18(11-15(2)20(14)26-19(27)12-21(3,4)5)28-13-16-6-8-17(9-7-16)22(23,24)25/h6-11H,12-13H2,1-5H3,(H,26,27).
What are the key properties of N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide?
N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide has a molecular weight of 393.45 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 44602992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).