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

C19H28F3NO3 — CID 100761098

IUPAC(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1
InChIInChI=1S/C19H28F3NO3/c1-5-8-9-12-18(4,26-7-3)17(24)23-14-10-11-16(25-6-2)15(13-14)19(20,21)22/h10-11,13H,5-9,12H2,1-4H3,(H,23,24)/t18-/m0/s1
InChIKeyVEOBPWKHTFBRDE-SFHVURJKSA-N
MW375.43 g/mol
LogP5.42
Rot. Bonds10

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

(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide (PubChem CID 100761098) has the molecular formula C19H28F3NO3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
PubChem CID100761098
Molecular FormulaC19H28F3NO3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1
InChIInChI=1S/C19H28F3NO3/c1-5-8-9-12-18(4,26-7-3)17(24)23-14-10-11-16(25-6-2)15(13-14)19(20,21)22/h10-11,13H,5-9,12H2,1-4H3,(H,23,24)/t18-/m0/s1
InChIKeyVEOBPWKHTFBRDE-SFHVURJKSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 100759967
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2-methylheptanamide
CID 100761338
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2-methylheptanamide
CID 100729354
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-2-methylheptanamide
CID 133205772
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-(2-methylpropoxy)benzoate
CID 133203902
ethyl 2-butoxy-5-[[(2S)-2-ethoxy-2-methylpentanoyl]amino]benzoate
CID 100760105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide?
The IUPAC name of (2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide (CID 100761098) is (2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide is CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide?
The InChIKey is VEOBPWKHTFBRDE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28F3NO3/c1-5-8-9-12-18(4,26-7-3)17(24)23-14-10-11-16(25-6-2)15(13-14)19(20,21)22/h10-11,13H,5-9,12H2,1-4H3,(H,23,24)/t18-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide?
(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide has a molecular weight of 375.43 g/mol, XLogP of 5.42, 10 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-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide is sourced from PubChem (CID 100761098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).