N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide

C18H26F3NO3 — CID 155778224

IUPACN-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide
SMILESCCOCC(NC(=O)CCC(C)(C)C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H26F3NO3/c1-5-24-12-15(22-16(23)9-10-17(2,3)4)13-7-6-8-14(11-13)25-18(19,20)21/h6-8,11,15H,5,9-10,12H2,1-4H3,(H,22,23)
InChIKeyQFIRVIGNOXWRJY-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.61
Rot. Bonds8

About N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide

N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide (PubChem CID 155778224) has the molecular formula C18H26F3NO3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide
PubChem CID155778224
Molecular FormulaC18H26F3NO3
Molecular Weight361.40 g/mol
Exact Mass361.19
IUPAC NameN-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide
SMILESCCOCC(NC(=O)CCC(C)(C)C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H26F3NO3/c1-5-24-12-15(22-16(23)9-10-17(2,3)4)13-7-6-8-14(11-13)25-18(19,20)21/h6-8,11,15H,5,9-10,12H2,1-4H3,(H,22,23)
InChIKeyQFIRVIGNOXWRJY-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-N-[(1R)-2-methoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide
CID 139414551
N-[2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-hydroxy-4,4-dimethylpentanamide
CID 139414492
methyl 3-[(2-aminoacetyl)amino]-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 18518052
N-[(1R)-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-[(1S,2S)-2-hydroxy-1-(trifluoromethyl)cyclopropyl]propanamide
CID 177251719
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
N-[2-cyano-1-[3-(trifluoromethoxy)phenyl]ethyl]-3-hydroxy-4,4-dimethylpentanamide
CID 175213315
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145885
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 107105283
(3R)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;(3S)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 157286212
methyl 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 11037191

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide?
The IUPAC name of N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide (CID 155778224) is N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide is CCOCC(NC(=O)CCC(C)(C)C)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide?
The InChIKey is QFIRVIGNOXWRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO3/c1-5-24-12-15(22-16(23)9-10-17(2,3)4)13-7-6-8-14(11-13)25-18(19,20)21/h6-8,11,15H,5,9-10,12H2,1-4H3,(H,22,23).
What are the key properties of N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide?
N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide has a molecular weight of 361.40 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 155778224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).