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

C13H17F3N2O2 — CID 119302270

IUPAC4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCc1ccc(NC(=O)CCCN)c(OCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-9-4-5-10(18-12(19)3-2-6-17)11(7-9)20-8-13(14,15)16/h4-5,7H,2-3,6,8,17H2,1H3,(H,18,19)
InChIKeyZCQFVTMKGWRTQG-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.61
Rot. Bonds6

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

4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide (PubChem CID 119302270) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
PubChem CID119302270
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
SMILESCc1ccc(NC(=O)CCCN)c(OCC(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O2/c1-9-4-5-10(18-12(19)3-2-6-17)11(7-9)20-8-13(14,15)16/h4-5,7H,2-3,6,8,17H2,1H3,(H,18,19)
InChIKeyZCQFVTMKGWRTQG-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride
CID 119785431
2-cyano-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 168522088
3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120609694
7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
CID 119746942
4-acetamido-N-[5-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 166187863
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
2-(1-hydroxycyclohexyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111331984
N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-3-phenylprop-2-enamide
CID 76869273
3-[4-(diethylsulfamoyl)phenyl]-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 60575015
4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123
(E)-3-(4-fluorophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]prop-2-enamide
CID 60575425

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide (CID 119302270) is 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide is Cc1ccc(NC(=O)CCCN)c(OCC(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
The InChIKey is ZCQFVTMKGWRTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9-4-5-10(18-12(19)3-2-6-17)11(7-9)20-8-13(14,15)16/h4-5,7H,2-3,6,8,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide?
4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide has a molecular weight of 290.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide is sourced from PubChem (CID 119302270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).