3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide

C17H23F3N2O3 — CID 55824930

IUPAC3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCC(C)CC(=O)NC(C(=O)Nc1cccc(OC(F)(F)F)c1)C(C)C
InChIInChI=1S/C17H23F3N2O3/c1-10(2)8-14(23)22-15(11(3)4)16(24)21-12-6-5-7-13(9-12)25-17(18,19)20/h5-7,9-11,15H,8H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyFNUHLPDJJIIWRX-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.71
Rot. Bonds7

About 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide

3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide (PubChem CID 55824930) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
PubChem CID55824930
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
SMILESCC(C)CC(=O)NC(C(=O)Nc1cccc(OC(F)(F)F)c1)C(C)C
InChIInChI=1S/C17H23F3N2O3/c1-10(2)8-14(23)22-15(11(3)4)16(24)21-12-6-5-7-13(9-12)25-17(18,19)20/h5-7,9-11,15H,8H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyFNUHLPDJJIIWRX-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
CID 46539957
N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]pentan-2-yl]benzamide
CID 55550380
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
(2S)-2-(methylamino)-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 68650128
1-(3-methylbutyl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 47201851
(2S)-2-acetamido-N-[3-ethoxy-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-3-methylbutanamide
CID 169204669
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
(2R)-2-amino-4,4,4-trifluoro-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 135386298
N-propan-2-yl-2-[3-(trifluoromethoxy)anilino]acetamide
CID 28586045
1-ethyl-3-[3-(trifluoromethoxy)phenyl]urea
CID 58817774
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
N-[1-[3-(difluoromethoxy)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55742227

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide (CID 55824930) is 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide is CC(C)CC(=O)NC(C(=O)Nc1cccc(OC(F)(F)F)c1)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is FNUHLPDJJIIWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-10(2)8-14(23)22-15(11(3)4)16(24)21-12-6-5-7-13(9-12)25-17(18,19)20/h5-7,9-11,15H,8H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide?
3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 360.38 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutanoylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 55824930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).