N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C16H21FN2O4 — CID 156584536

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O4/c1-19(6-10-2-4-11(17)5-3-10)7-14(21)18-12-8-22-16-13(20)9-23-15(12)16/h2-5,12-13,15-16,20H,6-9H2,1H3,(H,18,21)/t12-,13-,15-,16-/m1/s1
InChIKeyQHGHDJINWYNTMM-RRCSTGOVSA-N
MW324.35 g/mol
LogP-0.10
Rot. Bonds5

About N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 156584536) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID156584536
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN2O4/c1-19(6-10-2-4-11(17)5-3-10)7-14(21)18-12-8-22-16-13(20)9-23-15(12)16/h2-5,12-13,15-16,20H,6-9H2,1H3,(H,18,21)/t12-,13-,15-,16-/m1/s1
InChIKeyQHGHDJINWYNTMM-RRCSTGOVSA-N
XLogP-0.10
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide with MolForge

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Related Compounds

(2S,3S,4R,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
CID 28961297
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
CID 75536579
N-[[(2R,3R,4S,5S)-3-[2-(dimethylamino)ethyl-methylamino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-fluorobenzamide
CID 28961443
(2S,3S,4R,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-pyrrolidin-1-yloxolan-3-ol
CID 28961570
(2S,3S,4R,5R)-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-3-ol
CID 28961840
(2S,3S,4S,5R)-4-[benzyl(methyl)amino]-5-[[(4-fluorophenyl)methylamino]methyl]-2-(hydroxymethyl)oxolan-3-ol
CID 38026759
N-[[(2R,3S,4R)-4-[(2-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
CID 75536588
N~1~-[rac-7-(dimethylamino)-2-oxabicyclo[3.2.0]hept-6-yl]-N~2~-(4-fluorobenzyl)-N~2~-methylglycinamide
CID 91766943
[(3S,3aR,6R,6aS)-3-(benzylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-ethylcarbamate
CID 11884650
N-[[(2R,3R,4S,5S)-3-[benzyl(methyl)amino]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-2-methoxyacetamide
CID 28962316
3-fluoro-N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-2-yl]methyl]benzamide
CID 28961794
N-ethyl-2-[(2-fluorophenyl)methyl-methylamino]-N-(4-hydroxyoxolan-3-yl)acetamide
CID 171359712

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 156584536) is N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)N[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O)Cc1ccc(F)cc1.
What is the InChIKey of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is QHGHDJINWYNTMM-RRCSTGOVSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-19(6-10-2-4-11(17)5-3-10)7-14(21)18-12-8-22-16-13(20)9-23-15(12)16/h2-5,12-13,15-16,20H,6-9H2,1H3,(H,18,21)/t12-,13-,15-,16-/m1/s1.
What are the key properties of N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 324.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 156584536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).