(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide

C20H30F3NO3 — CID 100766204

IUPAC(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1
InChIInChI=1S/C20H30F3NO3/c1-5-8-9-12-19(4,27-13-6-2)18(25)24-15-10-11-17(26-7-3)16(14-15)20(21,22)23/h10-11,14H,5-9,12-13H2,1-4H3,(H,24,25)/t19-/m1/s1
InChIKeyMZTQOYUAROBTSJ-LJQANCHMSA-N
MW389.46 g/mol
LogP5.81
Rot. Bonds11

About (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide

(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide (PubChem CID 100766204) has the molecular formula C20H30F3NO3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound Name(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
PubChem CID100766204
Molecular FormulaC20H30F3NO3
Molecular Weight389.46 g/mol
Exact Mass389.22
IUPAC Name(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1
InChIInChI=1S/C20H30F3NO3/c1-5-8-9-12-19(4,27-13-6-2)18(25)24-15-10-11-17(26-7-3)16(14-15)20(21,22)23/h10-11,14H,5-9,12-13H2,1-4H3,(H,24,25)/t19-/m1/s1
InChIKeyMZTQOYUAROBTSJ-LJQANCHMSA-N
XLogP5.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.81
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

(2S)-2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methylheptanamide
CID 100761098
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
ethyl 5-[[(2S)-2-methyl-2-propoxyheptanoyl]amino]-2-propoxybenzoate
CID 100766340
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712148
(2S)-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 100759967
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
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 2-butoxy-5-[(2-methyl-2-propoxyhexanoyl)amino]benzoate
CID 133205347
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide?
The IUPAC name of (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide (CID 100766204) is (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide?
The canonical SMILES for (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide is CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1.
What is the InChIKey of (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide?
The InChIKey is MZTQOYUAROBTSJ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30F3NO3/c1-5-8-9-12-19(4,27-13-6-2)18(25)24-15-10-11-17(26-7-3)16(14-15)20(21,22)23/h10-11,14H,5-9,12-13H2,1-4H3,(H,24,25)/t19-/m1/s1.
What are the key properties of (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide?
(2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide has a molecular weight of 389.46 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 100766204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).