(2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

C13H18F3N3O3 — CID 129402672

IUPAC(2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)o1
InChIInChI=1S/C13H18F3N3O3/c1-7-4-5-10(22-7)8(2)18-9(3)11(20)19-12(21)17-6-13(14,15)16/h4-5,8-9,18H,6H2,1-3H3,(H2,17,19,20,21)/t8-,9-/m1/s1
InChIKeyLRZJKIFFWMDFKT-RKDXNWHRSA-N
MW321.30 g/mol
LogP2.02
Rot. Bonds5

About (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide

(2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (PubChem CID 129402672) has the molecular formula C13H18F3N3O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
PubChem CID129402672
Molecular FormulaC13H18F3N3O3
Molecular Weight321.30 g/mol
Exact Mass321.13
IUPAC Name(2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
SMILESCc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)o1
InChIInChI=1S/C13H18F3N3O3/c1-7-4-5-10(22-7)8(2)18-9(3)11(20)19-12(21)17-6-13(14,15)16/h4-5,8-9,18H,6H2,1-3H3,(H2,17,19,20,21)/t8-,9-/m1/s1
InChIKeyLRZJKIFFWMDFKT-RKDXNWHRSA-N
XLogP2.02
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide with MolForge

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Related Compounds

(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 124625732
2-[1-(5-methylfuran-2-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 112771098
2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104864899
2-[1-(4-methoxyphenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115597064
N-cyclohexyl-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
CID 60654151
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
(2S)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088120
(2R)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088122
N-(2,4-dibromophenyl)-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
CID 112771099
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
CID 61479193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide (CID 129402672) is (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)o1.
What is the InChIKey of (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
The InChIKey is LRZJKIFFWMDFKT-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H18F3N3O3/c1-7-4-5-10(22-7)8(2)18-9(3)11(20)19-12(21)17-6-13(14,15)16/h4-5,8-9,18H,6H2,1-3H3,(H2,17,19,20,21)/t8-,9-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide?
(2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide has a molecular weight of 321.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide is sourced from PubChem (CID 129402672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).