2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide

C23H25F3N2O3 — CID 68928715

IUPAC2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide
SMILESCCC(C)CC(Oc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NCc1ccccc1OC
InChIInChI=1S/C23H25F3N2O3/c1-4-15(2)11-21(22(29)28-14-17-7-5-6-8-20(17)30-3)31-18-10-9-16(13-27)19(12-18)23(24,25)26/h5-10,12,15,21H,4,11,14H2,1-3H3,(H,28,29)
InChIKeyBEQJDNQBSBXOAS-UHFFFAOYSA-N
MW434.46 g/mol
LogP5.09
Rot. Bonds9

About 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide

2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide (PubChem CID 68928715) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide.

Molecular Properties

Compound Name2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide
PubChem CID68928715
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide
SMILESCCC(C)CC(Oc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NCc1ccccc1OC
InChIInChI=1S/C23H25F3N2O3/c1-4-15(2)11-21(22(29)28-14-17-7-5-6-8-20(17)30-3)31-18-10-9-16(13-27)19(12-18)23(24,25)26/h5-10,12,15,21H,4,11,14H2,1-3H3,(H,28,29)
InChIKeyBEQJDNQBSBXOAS-UHFFFAOYSA-N
XLogP5.09
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(2-methoxyphenyl)methyl]butanamide
CID 132653687
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 53286332
2-(4-cyanophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 51143681
2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2-hydroxypropyl)benzamide
CID 11639166
2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentanamide
CID 91193105
[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 8856174
4-[(2,5-dimethoxyphenyl)methylamino]-2-(trifluoromethyl)benzonitrile
CID 56553972
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 92676257
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
4-[2-(2-methoxyphenoxy)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 56583906

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide?
The IUPAC name of 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide (CID 68928715) is 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide.
What is the SMILES notation for 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide?
The canonical SMILES for 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide is CCC(C)CC(Oc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NCc1ccccc1OC.
What is the InChIKey of 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide?
The InChIKey is BEQJDNQBSBXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-4-15(2)11-21(22(29)28-14-17-7-5-6-8-20(17)30-3)31-18-10-9-16(13-27)19(12-18)23(24,25)26/h5-10,12,15,21H,4,11,14H2,1-3H3,(H,28,29).
What are the key properties of 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide?
2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide has a molecular weight of 434.46 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-3-(trifluoromethyl)phenoxy]-N-[(2-methoxyphenyl)methyl]-4-methylhexanamide is sourced from PubChem (CID 68928715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).