2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid

C19H20F3NO4 — CID 119222812

IUPAC2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)CC(C)c2ccc(C(F)(F)F)cc2)cc1C(=O)O
InChIInChI=1S/C19H20F3NO4/c1-11(13-4-6-14(7-5-13)19(20,21)22)8-17(24)23(3)10-15-9-16(18(25)26)12(2)27-15/h4-7,9,11H,8,10H2,1-3H3,(H,25,26)
InChIKeyGGTUACJLIMQNQM-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.46
Rot. Bonds6

About 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid

2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 119222812) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID119222812
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Name2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CN(C)C(=O)CC(C)c2ccc(C(F)(F)F)cc2)cc1C(=O)O
InChIInChI=1S/C19H20F3NO4/c1-11(13-4-6-14(7-5-13)19(20,21)22)8-17(24)23(3)10-15-9-16(18(25)26)12(2)27-15/h4-7,9,11H,8,10H2,1-3H3,(H,25,26)
InChIKeyGGTUACJLIMQNQM-UHFFFAOYSA-N
XLogP4.46
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid 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

2-methyl-5-[[methyl-[4-(trifluoromethyl)benzoyl]amino]methyl]furan-3-carboxylic acid
CID 75383714
5-[[3,5-dimethylhexanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221827
5-[[(2,2-difluoro-2-phenylacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222476
2-methyl-5-[[methyl(3-propan-2-yloxypropanoyl)amino]methyl]furan-3-carboxylic acid
CID 119221935
5-[[[3-acetamido-5-(trifluoromethyl)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 120523050
5-[[(2-methoxyacetyl)-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222157
5-[[[2-(3-fluorophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222738
5-[[2-(3-fluorophenyl)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222703
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119655169
2-methyl-5-[[methyl-(2-methylbenzoyl)amino]methyl]furan-3-carboxylic acid
CID 119222158
2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-carboxylic acid
CID 43477425
2-methyl-5-[[methyl(3-methylbutan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 43570316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid (CID 119222812) is 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid is Cc1oc(CN(C)C(=O)CC(C)c2ccc(C(F)(F)F)cc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is GGTUACJLIMQNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-11(13-4-6-14(7-5-13)19(20,21)22)8-17(24)23(3)10-15-9-16(18(25)26)12(2)27-15/h4-7,9,11H,8,10H2,1-3H3,(H,25,26).
What are the key properties of 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 383.37 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[3-[4-(trifluoromethyl)phenyl]butanoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 119222812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).