3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide

C13H17F3N2O — CID 65234342

IUPAC3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCNC(C)(CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-18-12(2,8-11(17)19)9-5-4-6-10(7-9)13(14,15)16/h4-7,18H,3,8H2,1-2H3,(H2,17,19)
InChIKeyORISIXVWMVXPTH-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.41
Rot. Bonds5

About 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide

3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 65234342) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID65234342
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCNC(C)(CC(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H17F3N2O/c1-3-18-12(2,8-11(17)19)9-5-4-6-10(7-9)13(14,15)16/h4-7,18H,3,8H2,1-2H3,(H2,17,19)
InChIKeyORISIXVWMVXPTH-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 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 ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylamino)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 61050689
3-(ethylamino)-3-[4-(trifluoromethyl)phenyl]butanoic acid
CID 65234264
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)butanamide
CID 65233837
(3R)-3-[3,5-bis(trifluoromethyl)phenyl]-3-fluorobutanamide
CID 89166343
3-(3,4-difluorophenyl)-3-(propylamino)butanamide
CID 65235585
methyl 2-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]butanoate
CID 115050962
3-(2,4-dimethylphenyl)-3-(ethylamino)butanamide
CID 65234113
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
CID 89166264
2-propyl-2-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 63541225
4-amino-3,4-dimethyl-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66090950
2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119338792

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide (CID 65234342) is 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide is CCNC(C)(CC(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is ORISIXVWMVXPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-3-18-12(2,8-11(17)19)9-5-4-6-10(7-9)13(14,15)16/h4-7,18H,3,8H2,1-2H3,(H2,17,19).
What are the key properties of 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide?
3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 274.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 65234342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).