4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

C21H22F3NO3 — CID 78892329

IUPAC4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H22F3NO3/c1-15(26)17-8-10-19(11-9-17)28-12-4-7-20(27)25(2)14-16-5-3-6-18(13-16)21(22,23)24/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3
InChIKeyKPIGTUBVOPXSGZ-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.73
Rot. Bonds8

About 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 78892329) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID78892329
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC Name4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(=O)c1ccc(OCCCC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H22F3NO3/c1-15(26)17-8-10-19(11-9-17)28-12-4-7-20(27)25(2)14-16-5-3-6-18(13-16)21(22,23)24/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3
InChIKeyKPIGTUBVOPXSGZ-UHFFFAOYSA-N
XLogP4.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
4-(3-fluorophenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55929431
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 78781704
2-[4-(4-acetylphenoxy)butanoyl-methylamino]acetic acid
CID 119171961
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
methyl 2-[4-(4-acetylphenoxy)butanoyl-benzylamino]-2-methylpropanoate
CID 154756196
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 112791758
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
4-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 167786860
N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 87006808

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide (CID 78892329) is 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is CC(=O)c1ccc(OCCCC(=O)N(C)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is KPIGTUBVOPXSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c1-15(26)17-8-10-19(11-9-17)28-12-4-7-20(27)25(2)14-16-5-3-6-18(13-16)21(22,23)24/h3,5-6,8-11,13H,4,7,12,14H2,1-2H3.
What are the key properties of 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide?
4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 393.41 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 78892329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).