N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide

C16H21F3N2O2 — CID 170749859

IUPACN-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide
SMILESCNC(=O)C(CCC=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-10(2)12-7-6-11(9-13(12)16(17,18)19)21-14(5-4-8-22)15(23)20-3/h6-10,14,21H,4-5H2,1-3H3,(H,20,23)
InChIKeyRKWUAZNKYFYGIV-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.33
Rot. Bonds7

About N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide

N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide (PubChem CID 170749859) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide.

Molecular Properties

Compound NameN-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide
PubChem CID170749859
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide
SMILESCNC(=O)C(CCC=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O2/c1-10(2)12-7-6-11(9-13(12)16(17,18)19)21-14(5-4-8-22)15(23)20-3/h6-10,14,21H,4-5H2,1-3H3,(H,20,23)
InChIKeyRKWUAZNKYFYGIV-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[butyl(ethyl)amino]-3-fluoroanilino]-N-methyl-5-oxopentanamide
CID 162725977
N,2-dimethyl-5-oxopentanamide
CID 20693317
2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
CID 69474334
2-[4-amino-3-(trifluoromethyl)anilino]-N-methylpropanamide
CID 54950316
2-acetamido-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-(trifluoromethyl)thiophene-3-carboxamide
CID 167232717
2-[4-cyano-3-(trifluoromethyl)anilino]-3-methoxypropanoic acid
CID 81078330
4-butan-2-yl-N-methyl-3-(trifluoromethyl)aniline
CID 177190079
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
2-[4-amino-3-(trifluoromethyl)anilino]propanamide
CID 43545460
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 17443888
N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123
N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide?
The IUPAC name of N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide (CID 170749859) is N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide.
What is the SMILES notation for N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide?
The canonical SMILES for N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide is CNC(=O)C(CCC=O)Nc1ccc(C(C)C)c(C(F)(F)F)c1.
What is the InChIKey of N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide?
The InChIKey is RKWUAZNKYFYGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-10(2)12-7-6-11(9-13(12)16(17,18)19)21-14(5-4-8-22)15(23)20-3/h6-10,14,21H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide?
N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide has a molecular weight of 330.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-2-[4-propan-2-yl-3-(trifluoromethyl)anilino]pentanamide is sourced from PubChem (CID 170749859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).