N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide

C16H20F3NO2 — CID 18709951

IUPACN,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCC(C)C(=O)C(C)(C)C(=O)N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-10(2)13(21)15(3,4)14(22)20(5)12-8-6-11(7-9-12)16(17,18)19/h6-10H,1-5H3
InChIKeyPQNIOYCXUOIJIR-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.92
Rot. Bonds4

About N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide

N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 18709951) has the molecular formula C16H20F3NO2 and a molecular weight of 315.34 g/mol. Its IUPAC name is N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound NameN,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide
PubChem CID18709951
Molecular FormulaC16H20F3NO2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC NameN,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCC(C)C(=O)C(C)(C)C(=O)N(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO2/c1-10(2)13(21)15(3,4)14(22)20(5)12-8-6-11(7-9-12)16(17,18)19/h6-10H,1-5H3
InChIKeyPQNIOYCXUOIJIR-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;iodomethane;N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide;2,2,4-trimethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 160880444
methyl-[4-(trifluoromethyl)phenyl]carbamic acid
CID 54260410
2-[N-methyl-4-(trifluoromethyl)anilino]-2-oxoacetic acid
CID 83630391
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
N-methyl-N-[4-(trifluoromethyl)phenyl]but-2-ynamide
CID 146585049
3-[(1S)-1-cyanoethyl]-1-methyl-1-[4-(trifluoromethyl)phenyl]urea
CID 125488846
tert-butyl N-methyl-N-[4-[4-(trifluoromethyl)phenoxy]phenyl]carbamate
CID 171654852
N-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91720800
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674
N-tert-butyl-N-methyl-4-(trifluoromethyl)aniline
CID 146573346

Frequently Asked Questions

What is the IUPAC name of N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide (CID 18709951) is N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide is CC(C)C(=O)C(C)(C)C(=O)N(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is PQNIOYCXUOIJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-10(2)13(21)15(3,4)14(22)20(5)12-8-6-11(7-9-12)16(17,18)19/h6-10H,1-5H3.
What are the key properties of N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide?
N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 315.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,4-tetramethyl-3-oxo-N-[4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 18709951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).