(2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide

C16H20F3NO4 — CID 95593455

IUPAC(2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)NC(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H20F3NO4/c1-10(24-9-16(17,18)19)14(21)20-15(2,3)11-4-5-12-13(8-11)23-7-6-22-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyGVGMCYZNDXRONL-SNVBAGLBSA-N
MW347.33 g/mol
LogP2.78
Rot. Bonds5

About (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide

(2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 95593455) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID95593455
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name(2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@@H](OCC(F)(F)F)C(=O)NC(C)(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H20F3NO4/c1-10(24-9-16(17,18)19)14(21)20-15(2,3)11-4-5-12-13(8-11)23-7-6-22-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,20,21)/t10-/m1/s1
InChIKeyGVGMCYZNDXRONL-SNVBAGLBSA-N
XLogP2.78
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 95593454
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38884944
1-benzyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216761
1-(1,3-benzodioxol-5-yl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]urea
CID 113216884
N-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3,4,4-trimethylpentanamide
CID 86901342
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-methoxypropanamide
CID 120987990
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 113091617
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(4-methoxyphenyl)urea
CID 113216857
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 113216860
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-1,1,1-trifluoro-2-methylbutan-2-yl]propanamide
CID 95778446
N-[(4-tert-butylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 25222516
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoro-3-hydroxybutanoate
CID 62396774

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 95593455) is (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide is C[C@@H](OCC(F)(F)F)C(=O)NC(C)(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GVGMCYZNDXRONL-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-10(24-9-16(17,18)19)14(21)20-15(2,3)11-4-5-12-13(8-11)23-7-6-22-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 347.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 95593455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).