(2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide

C19H23F4NO5 — CID 139178093

IUPAC(2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CN(Cc1ccccc1)C(=O)[C@@H](F)C(F)(F)F
InChIInChI=1S/C19H23F4NO5/c1-18(2)28-14-13(26-3)12(27-17(14)29-18)10-24(9-11-7-5-4-6-8-11)16(25)15(20)19(21,22)23/h4-8,12-15,17H,9-10H2,1-3H3/t12-,13+,14-,15-,17-/m1/s1
InChIKeyALDOMYALBDGPEZ-JRBZFYFNSA-N
MW421.39 g/mol
LogP2.81
Rot. Bonds6

About (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide

(2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide (PubChem CID 139178093) has the molecular formula C19H23F4NO5 and a molecular weight of 421.39 g/mol. Its IUPAC name is (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide.

Molecular Properties

Compound Name(2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide
PubChem CID139178093
Molecular FormulaC19H23F4NO5
Molecular Weight421.39 g/mol
Exact Mass421.15
IUPAC Name(2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CN(Cc1ccccc1)C(=O)[C@@H](F)C(F)(F)F
InChIInChI=1S/C19H23F4NO5/c1-18(2)28-14-13(26-3)12(27-17(14)29-18)10-24(9-11-7-5-4-6-8-11)16(25)15(20)19(21,22)23/h4-8,12-15,17H,9-10H2,1-3H3/t12-,13+,14-,15-,17-/m1/s1
InChIKeyALDOMYALBDGPEZ-JRBZFYFNSA-N
XLogP2.81
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide with MolForge

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Related Compounds

N-benzyl-N-[(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)but-3-enyl]-2,2,2-trifluoroacetamide
CID 134881147
[(2R,3R,6R,6aS)-2-acetyloxy-4-benzyl-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-3-yl] acetate
CID 70310665
N-benzyl-N-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)but-3-enyl]-2,2,2-trifluoroacetamide
CID 11711563
N-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-ylmethyl)-N-[(3,4,5-trifluorophenyl)methyl]prop-2-enamide
CID 166419942
(3aR,5R,6S,6aR)-5-[[benzyl(propan-2-yl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10567790
1-Benzyl-3-ethyl-1-[(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]urea
CID 10133385
1-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-1-benzyl-3-ethylurea
CID 59922413
N-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-N-benzylhydroxylamine
CID 166770777
(3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10402139
[(2R,3R,4R,5S)-4,5-diacetyloxy-2-[[benzyl(formyl)amino]methyl]oxolan-3-yl] acetate
CID 101453095
1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-benzyl-N-oxidomethanamine
CID 102355016

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide?
The IUPAC name of (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide (CID 139178093) is (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide.
What is the SMILES notation for (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide?
The canonical SMILES for (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide is CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1CN(Cc1ccccc1)C(=O)[C@@H](F)C(F)(F)F.
What is the InChIKey of (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide?
The InChIKey is ALDOMYALBDGPEZ-JRBZFYFNSA-N. The full InChI is InChI=1S/C19H23F4NO5/c1-18(2)28-14-13(26-3)12(27-17(14)29-18)10-24(9-11-7-5-4-6-8-11)16(25)15(20)19(21,22)23/h4-8,12-15,17H,9-10H2,1-3H3/t12-,13+,14-,15-,17-/m1/s1.
What are the key properties of (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide?
(2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide has a molecular weight of 421.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl]-N-benzyl-2,3,3,3-tetrafluoropropanamide is sourced from PubChem (CID 139178093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).