(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide

C16H23FN2O3 — CID 99105593

IUPAC(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide
SMILESCN(CCOC[C@@H]1CCCO1)[C@@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O3/c1-19(7-9-21-11-14-6-3-8-22-14)15(16(18)20)12-4-2-5-13(17)10-12/h2,4-5,10,14-15H,3,6-9,11H2,1H3,(H2,18,20)/t14-,15+/m0/s1
InChIKeyYIRYJRGSMSOICZ-LSDHHAIUSA-N
MW310.37 g/mol
LogP1.48
Rot. Bonds8

About (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide

(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide (PubChem CID 99105593) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide
PubChem CID99105593
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide
SMILESCN(CCOC[C@@H]1CCCO1)[C@@H](C(N)=O)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O3/c1-19(7-9-21-11-14-6-3-8-22-14)15(16(18)20)12-4-2-5-13(17)10-12/h2,4-5,10,14-15H,3,6-9,11H2,1H3,(H2,18,20)/t14-,15+/m0/s1
InChIKeyYIRYJRGSMSOICZ-LSDHHAIUSA-N
XLogP1.48
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-ethyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111409344
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]-2-(3-fluorophenyl)acetamide
CID 71986955
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 34962763
2-(3-fluorophenyl)-2-[[4-(hydroxymethyl)phenyl]methyl-methylamino]acetamide
CID 110009403
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-(oxolan-2-ylmethoxy)acetamide
CID 86868379
bis((3-fluorophenyl)methanol);(2S)-2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 142540594
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
2-(3-fluorophenyl)-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 71986954
2-(3-fluorophenyl)-4-(oxolan-2-yl)butan-1-ol
CID 79429959
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-(oxolan-2-ylmethoxy)benzamide
CID 134026942

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide?
The IUPAC name of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide (CID 99105593) is (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide is CN(CCOC[C@@H]1CCCO1)[C@@H](C(N)=O)c1cccc(F)c1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide?
The InChIKey is YIRYJRGSMSOICZ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-19(7-9-21-11-14-6-3-8-22-14)15(16(18)20)12-4-2-5-13(17)10-12/h2,4-5,10,14-15H,3,6-9,11H2,1H3,(H2,18,20)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide?
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide has a molecular weight of 310.37 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-2-[methyl-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]amino]acetamide is sourced from PubChem (CID 99105593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).