2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide

C17H20F3NO3 — CID 95782433

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide
SMILESCOC[C@@](C)(NC(=O)Cc1coc2cc(C)c(C)cc12)C(F)(F)F
InChIInChI=1S/C17H20F3NO3/c1-10-5-13-12(8-24-14(13)6-11(10)2)7-15(22)21-16(3,9-23-4)17(18,19)20/h5-6,8H,7,9H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyFWBVXVRYZVZCID-MRXNPFEDSA-N
MW343.35 g/mol
LogP3.68
Rot. Bonds5

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide (PubChem CID 95782433) has the molecular formula C17H20F3NO3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide
PubChem CID95782433
Molecular FormulaC17H20F3NO3
Molecular Weight343.35 g/mol
Exact Mass343.14
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide
SMILESCOC[C@@](C)(NC(=O)Cc1coc2cc(C)c(C)cc12)C(F)(F)F
InChIInChI=1S/C17H20F3NO3/c1-10-5-13-12(8-24-14(13)6-11(10)2)7-15(22)21-16(3,9-23-4)17(18,19)20/h5-6,8H,7,9H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyFWBVXVRYZVZCID-MRXNPFEDSA-N
XLogP3.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide 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-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 34201561
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119605884
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934971
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluorophenyl)acetamide
CID 7733151
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)acetamide
CID 111519796
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-[2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 35518370
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950374
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
N-(3-aminopropyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 119405292
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide (CID 95782433) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide is COC[C@@](C)(NC(=O)Cc1coc2cc(C)c(C)cc12)C(F)(F)F.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide?
The InChIKey is FWBVXVRYZVZCID-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20F3NO3/c1-10-5-13-12(8-24-14(13)6-11(10)2)7-15(22)21-16(3,9-23-4)17(18,19)20/h5-6,8H,7,9H2,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide has a molecular weight of 343.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 95782433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).