2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

C12H17F3N2O2 — CID 79811989

IUPAC2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCc1cc(C(C)NC(=O)C(C)(N)C(F)(F)F)c(C)o1
InChIInChI=1S/C12H17F3N2O2/c1-6-5-9(8(3)19-6)7(2)17-10(18)11(4,16)12(13,14)15/h5,7H,16H2,1-4H3,(H,17,18)
InChIKeyAJGNQTAANHAQLY-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.35
Rot. Bonds3

About 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79811989) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79811989
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCc1cc(C(C)NC(=O)C(C)(N)C(F)(F)F)c(C)o1
InChIInChI=1S/C12H17F3N2O2/c1-6-5-9(8(3)19-6)7(2)17-10(18)11(4,16)12(13,14)15/h5,7H,16H2,1-4H3,(H,17,18)
InChIKeyAJGNQTAANHAQLY-UHFFFAOYSA-N
XLogP2.35
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 81397684
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
methyl 2-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-methylpropanoate
CID 43726174
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
2-amino-3,3,3-trifluoro-N-[1-(3-fluorophenyl)ethyl]-2-methylpropanamide
CID 79805972
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 95179199
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505375
2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62820644
2-amino-3,3,3-trifluoro-2-methyl-N-(1-thiophen-3-ylethyl)propanamide
CID 79812220

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide (CID 79811989) is 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is Cc1cc(C(C)NC(=O)C(C)(N)C(F)(F)F)c(C)o1.
What is the InChIKey of 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is AJGNQTAANHAQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-6-5-9(8(3)19-6)7(2)17-10(18)11(4,16)12(13,14)15/h5,7H,16H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 278.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79811989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).