N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

C24H30F3NO — CID 143822828

IUPACN-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(C(F)(F)F)cc1)C(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30F3NO/c1-6-22(29)28(16-15-18-7-11-21(12-8-18)24(25,26)27)17(2)19-9-13-20(14-10-19)23(3,4)5/h7-14,17H,6,15-16H2,1-5H3
InChIKeyAHVQXURPDDAPML-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.55
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 143822828) has the molecular formula C24H30F3NO and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID143822828
Molecular FormulaC24H30F3NO
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCCC(=O)N(CCc1ccc(C(F)(F)F)cc1)C(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30F3NO/c1-6-22(29)28(16-15-18-7-11-21(12-8-18)24(25,26)27)17(2)19-9-13-20(14-10-19)23(3,4)5/h7-14,17H,6,15-16H2,1-5H3
InChIKeyAHVQXURPDDAPML-UHFFFAOYSA-N
XLogP6.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]propanamide;ethylbenzene
CID 143822741
N-[1-(4-tert-butylphenyl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 143822863
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
2-methyl-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 81007800
(2R)-2-methyl-4-[4-[4-(trifluoromethyl)phenyl]phenyl]butanamide
CID 157198688
2-[2-(4-tert-butylphenyl)ethyl-propylamino]acetic acid
CID 122040131
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
CID 143698340
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
CID 94689627
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
2-methyl-3-[methyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoic acid
CID 65071606
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 143822828) is N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is CCC(=O)N(CCc1ccc(C(F)(F)F)cc1)C(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is AHVQXURPDDAPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3NO/c1-6-22(29)28(16-15-18-7-11-21(12-8-18)24(25,26)27)17(2)19-9-13-20(14-10-19)23(3,4)5/h7-14,17H,6,15-16H2,1-5H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 405.50 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 143822828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).