(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide

C16H22F3NO3 — CID 100759967

IUPAC(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
SMILESCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO3/c1-5-9-15(3,23-6-2)14(21)20-11-7-8-13(22-4)12(10-11)16(17,18)19/h7-8,10H,5-6,9H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyRRYKZFPVPAOXQH-HNNXBMFYSA-N
MW333.35 g/mol
LogP4.25
Rot. Bonds7

About (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide

(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide (PubChem CID 100759967) has the molecular formula C16H22F3NO3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
PubChem CID100759967
Molecular FormulaC16H22F3NO3
Molecular Weight333.35 g/mol
Exact Mass333.16
IUPAC Name(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
SMILESCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO3/c1-5-9-15(3,23-6-2)14(21)20-11-7-8-13(22-4)12(10-11)16(17,18)19/h7-8,10H,5-6,9H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyRRYKZFPVPAOXQH-HNNXBMFYSA-N
XLogP4.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098
2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide
CID 133203979
(2S)-N-(3-cyano-4-methoxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100760136
(2S)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764483
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate
CID 133230051
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
N-(4-butan-2-yloxy-3-methylphenyl)-2-ethoxy-2-methylpentanamide
CID 133246636
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide?
The IUPAC name of (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide (CID 100759967) is (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide is CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide?
The InChIKey is RRYKZFPVPAOXQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22F3NO3/c1-5-9-15(3,23-6-2)14(21)20-11-7-8-13(22-4)12(10-11)16(17,18)19/h7-8,10H,5-6,9H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide?
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide has a molecular weight of 333.35 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 100759967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).