N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C20H23F3N2O5 — CID 95787904

IUPACN-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C20H23F3N2O5/c1-12-8-17(13(2)30-12)19(28)24-9-18(27)25(3)10-15(26)11-29-16-6-4-14(5-7-16)20(21,22)23/h4-8,15,26H,9-11H2,1-3H3,(H,24,28)/t15-/m1/s1
InChIKeyFUWDICNMEIVREB-OAHLLOKOSA-N
MW428.41 g/mol
LogP2.54
Rot. Bonds8

About N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 95787904) has the molecular formula C20H23F3N2O5 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID95787904
Molecular FormulaC20H23F3N2O5
Molecular Weight428.41 g/mol
Exact Mass428.16
IUPAC NameN-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C20H23F3N2O5/c1-12-8-17(13(2)30-12)19(28)24-9-18(27)25(3)10-15(26)11-29-16-6-4-14(5-7-16)20(21,22)23/h4-8,15,26H,9-11H2,1-3H3,(H,24,28)/t15-/m1/s1
InChIKeyFUWDICNMEIVREB-OAHLLOKOSA-N
XLogP2.54
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide with MolForge

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methyl-4-(methylamino)butanamide
CID 119740676
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119740691
3-(4-fluorophenyl)-1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methylurea
CID 60526456
N-[2-[methoxy(methyl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 47301051
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-methyl-3-phenylpropanamide
CID 119298814
2,5-dimethyl-N-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 55876090
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
CID 111595929
1-[4-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241736

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 95787904) is N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)N(C)C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C)o1.
What is the InChIKey of N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FUWDICNMEIVREB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23F3N2O5/c1-12-8-17(13(2)30-12)19(28)24-9-18(27)25(3)10-15(26)11-29-16-6-4-14(5-7-16)20(21,22)23/h4-8,15,26H,9-11H2,1-3H3,(H,24,28)/t15-/m1/s1.
What are the key properties of N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 95787904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).