2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide

C19H21F3N2O4 — CID 55890647

IUPAC2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCc2ccc(COCC(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C19H21F3N2O4/c1-12-7-16(13(2)28-12)18(26)24-9-17(25)23-8-14-3-5-15(6-4-14)10-27-11-19(20,21)22/h3-7H,8-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHBXMCWMTTPWOMX-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.02
Rot. Bonds8

About 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide (PubChem CID 55890647) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
PubChem CID55890647
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)NCc2ccc(COCC(F)(F)F)cc2)c(C)o1
InChIInChI=1S/C19H21F3N2O4/c1-12-7-16(13(2)28-12)18(26)24-9-17(25)23-8-14-3-5-15(6-4-14)10-27-11-19(20,21)22/h3-7H,8-11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyHBXMCWMTTPWOMX-UHFFFAOYSA-N
XLogP3.02
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 86822231
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119699219
2-N,2-N,6-trimethyl-5-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86890232
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55912633
2-(2,4-dichlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 16582112
5-(methoxymethyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 86918391
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 26080663
2,5-dimethyl-N-[2-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-2-oxoethyl]furan-3-carboxamide
CID 56502731
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 46422498
1-(4-methylphenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 30767998
N-[(4-cyanophenyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47161865
N-[2-[[4-(ethoxymethyl)phenyl]methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46598045

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide (CID 55890647) is 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCC(=O)NCc2ccc(COCC(F)(F)F)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide?
The InChIKey is HBXMCWMTTPWOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-12-7-16(13(2)28-12)18(26)24-9-17(25)23-8-14-3-5-15(6-4-14)10-27-11-19(20,21)22/h3-7H,8-11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide has a molecular weight of 398.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-oxo-2-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 55890647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).