3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide

C12H15F3N2O2 — CID 107105283

IUPAC3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCCNC(CC(N)=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-2-17-10(7-11(16)18)8-4-3-5-9(6-8)19-12(13,14)15/h3-6,10,17H,2,7H2,1H3,(H2,16,18)
InChIKeyGGFFYMBUENUXLL-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.11
Rot. Bonds6

About 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide

3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 107105283) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID107105283
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
SMILESCCNC(CC(N)=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-2-17-10(7-11(16)18)8-4-3-5-9(6-8)19-12(13,14)15/h3-6,10,17H,2,7H2,1H3,(H2,16,18)
InChIKeyGGFFYMBUENUXLL-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-3-(3-propan-2-yloxyphenyl)propanamide
CID 65233677
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
N-ethyl-N',N'-dimethyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 79093108
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
N-ethyl-1-[3-(trifluoromethoxy)phenyl]heptan-1-amine
CID 115854011
methyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171243091
ethyl (3S)-3-amino-3-[3-(trifluoromethoxy)phenyl]propanoate;hydrochloride
CID 171229816
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-one
CID 138110122
2-amino-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104709
2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104719
3-(diethylamino)-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 107105235

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide (CID 107105283) is 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide is CCNC(CC(N)=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is GGFFYMBUENUXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-2-17-10(7-11(16)18)8-4-3-5-9(6-8)19-12(13,14)15/h3-6,10,17H,2,7H2,1H3,(H2,16,18).
What are the key properties of 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide?
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 276.26 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 107105283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).