3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide

C16H22F3NO2 — CID 112765185

IUPAC3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)C
InChIInChI=1S/C16H22F3NO2/c1-5-8-22-13-7-6-11(16(17,18)19)9-12(13)20-14(21)10-15(2,3)4/h6-7,9H,5,8,10H2,1-4H3,(H,20,21)
InChIKeyNSPSDMRLXYXWPG-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.87
Rot. Bonds5

About 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide

3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide (PubChem CID 112765185) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
PubChem CID112765185
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)C
InChIInChI=1S/C16H22F3NO2/c1-5-8-22-13-7-6-11(16(17,18)19)9-12(13)20-14(21)10-15(2,3)4/h6-7,9H,5,8,10H2,1-4H3,(H,20,21)
InChIKeyNSPSDMRLXYXWPG-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55336790
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
2-(2-nitrophenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 31950827
[2-oxo-2-[2-propoxy-5-(trifluoromethyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate
CID 7469228

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide (CID 112765185) is 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide?
The InChIKey is NSPSDMRLXYXWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-5-8-22-13-7-6-11(16(17,18)19)9-12(13)20-14(21)10-15(2,3)4/h6-7,9H,5,8,10H2,1-4H3,(H,20,21).
What are the key properties of 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide?
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide has a molecular weight of 317.35 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 112765185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).