(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide

C17H24F3NO3 — CID 100763997

IUPAC(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F3NO3/c1-5-10-24-16(4,6-2)15(22)21-12-8-9-14(23-7-3)13(11-12)17(18,19)20/h8-9,11H,5-7,10H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyLKIXNCFPQOSTEH-INIZCTEOSA-N
MW347.38 g/mol
LogP4.64
Rot. Bonds8

About (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide

(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide (PubChem CID 100763997) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide.

Molecular Properties

Compound Name(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
PubChem CID100763997
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F3NO3/c1-5-10-24-16(4,6-2)15(22)21-12-8-9-14(23-7-3)13(11-12)17(18,19)20/h8-9,11H,5-7,10H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyLKIXNCFPQOSTEH-INIZCTEOSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098
ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate
CID 100764118
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2S)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764483
methyl 5-[(2-methyl-2-propoxybutanoyl)amino]-2-propoxybenzoate
CID 133204025
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 100759967
(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 100737758
N-(4-ethoxynaphthalen-1-yl)-2-methyl-2-propoxybutanamide
CID 133204053
[2-cyano-4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenyl] acetate
CID 100764380

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide?
The IUPAC name of (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide (CID 100763997) is (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide.
What is the SMILES notation for (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide?
The canonical SMILES for (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide is CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide?
The InChIKey is LKIXNCFPQOSTEH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24F3NO3/c1-5-10-24-16(4,6-2)15(22)21-12-8-9-14(23-7-3)13(11-12)17(18,19)20/h8-9,11H,5-7,10H2,1-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide?
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide has a molecular weight of 347.38 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide is sourced from PubChem (CID 100763997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).