2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide

C18H26F3NO3 — CID 133230010

IUPAC2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)C(C)(CC(C)C)OCC)cc1C(F)(F)F
InChIInChI=1S/C18H26F3NO3/c1-6-24-15-9-8-13(10-14(15)18(19,20)21)22-16(23)17(5,25-7-2)11-12(3)4/h8-10,12H,6-7,11H2,1-5H3,(H,22,23)
InChIKeyJEHPJULOIGYRTB-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.88
Rot. Bonds8

About 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide

2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide (PubChem CID 133230010) has the molecular formula C18H26F3NO3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
PubChem CID133230010
Molecular FormulaC18H26F3NO3
Molecular Weight361.40 g/mol
Exact Mass361.19
IUPAC Name2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
SMILESCCOc1ccc(NC(=O)C(C)(CC(C)C)OCC)cc1C(F)(F)F
InChIInChI=1S/C18H26F3NO3/c1-6-24-15-9-8-13(10-14(15)18(19,20)21)22-16(23)17(5,25-7-2)11-12(3)4/h8-10,12H,6-7,11H2,1-5H3,(H,22,23)
InChIKeyJEHPJULOIGYRTB-UHFFFAOYSA-N
XLogP4.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2S)-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764483
(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098
ethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100759422
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 100759967
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
CID 100759329
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
CID 100766204

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide?
The IUPAC name of 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide (CID 133230010) is 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide.
What is the SMILES notation for 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide?
The canonical SMILES for 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide is CCOc1ccc(NC(=O)C(C)(CC(C)C)OCC)cc1C(F)(F)F.
What is the InChIKey of 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide?
The InChIKey is JEHPJULOIGYRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO3/c1-6-24-15-9-8-13(10-14(15)18(19,20)21)22-16(23)17(5,25-7-2)11-12(3)4/h8-10,12H,6-7,11H2,1-5H3,(H,22,23).
What are the key properties of 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide?
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide has a molecular weight of 361.40 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide is sourced from PubChem (CID 133230010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).