3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide

C13H17F3N2O — CID 62853226

IUPAC3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCNCC(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-3-17-8-9(2)12(19)18-11-7-5-4-6-10(11)13(14,15)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19)
InChIKeyPTQQDIPZDDHGSJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.89
Rot. Bonds5

About 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide

3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 62853226) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID62853226
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESCCNCC(C)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O/c1-3-17-8-9(2)12(19)18-11-7-5-4-6-10(11)13(14,15)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19)
InChIKeyPTQQDIPZDDHGSJ-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
N-[4-bromo-3-(trifluoromethyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852165
3-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]phenyl]propanoic acid
CID 107273577
(2S)-2-amino-3-methyl-N-[2-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 52986036
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-[[[2-(trifluoromethyl)phenyl]carbamoylamino]methyl]butanoic acid
CID 65219510
1-(4-hydroxy-2-methylbutyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 66106705
(2S)-2-ethyl-N-[2-(trifluoromethyl)phenyl]hexanamide
CID 7321292

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide (CID 62853226) is 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide is CCNCC(C)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is PTQQDIPZDDHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-17-8-9(2)12(19)18-11-7-5-4-6-10(11)13(14,15)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 274.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 62853226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).