4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide

C15H19F3N2O3 — CID 166187863

IUPAC4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCC(=O)NCCCC(=O)Nc1cc(C)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-10-5-6-13(23-9-15(16,17)18)12(8-10)20-14(22)4-3-7-19-11(2)21/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKIPOJPVWTPBJQI-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.79
Rot. Bonds7

About 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide

4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide (PubChem CID 166187863) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
PubChem CID166187863
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCC(=O)NCCCC(=O)Nc1cc(C)ccc1OCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-10-5-6-13(23-9-15(16,17)18)12(8-10)20-14(22)4-3-7-19-11(2)21/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKIPOJPVWTPBJQI-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
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-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
2-chloro-N-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]acetamide
CID 155581406
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 134027266
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
4-(3,4-dimethylphenyl)-4-oxo-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 41369771
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17498578
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The IUPAC name of 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide (CID 166187863) is 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide.
What is the SMILES notation for 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The canonical SMILES for 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide is CC(=O)NCCCC(=O)Nc1cc(C)ccc1OCC(F)(F)F.
What is the InChIKey of 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The InChIKey is KIPOJPVWTPBJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-10-5-6-13(23-9-15(16,17)18)12(8-10)20-14(22)4-3-7-19-11(2)21/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide has a molecular weight of 332.32 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide is sourced from PubChem (CID 166187863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).