2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide

C15H19FN2O5 — CID 91796753

IUPAC2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
SMILESNC(=O)COCC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C15H19FN2O5/c16-10-2-1-3-11(6-10)23-13-4-5-21-7-12(13)18-15(20)9-22-8-14(17)19/h1-3,6,12-13H,4-5,7-9H2,(H2,17,19)(H,18,20)/t12-,13+/m1/s1
InChIKeyZQHYHXKGFXKYGB-OLZOCXBDSA-N
MW326.32 g/mol
LogP-0.02
Rot. Bonds7

About 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide

2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide (PubChem CID 91796753) has the molecular formula C15H19FN2O5 and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
PubChem CID91796753
Molecular FormulaC15H19FN2O5
Molecular Weight326.32 g/mol
Exact Mass326.13
IUPAC Name2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
SMILESNC(=O)COCC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1
InChIInChI=1S/C15H19FN2O5/c16-10-2-1-3-11(6-10)23-13-4-5-21-7-12(13)18-15(20)9-22-8-14(17)19/h1-3,6,12-13H,4-5,7-9H2,(H2,17,19)(H,18,20)/t12-,13+/m1/s1
InChIKeyZQHYHXKGFXKYGB-OLZOCXBDSA-N
XLogP-0.02
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
2-(5-aminotetrazol-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91782920
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
1-(2-amino-2-oxoethyl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]piperidine-4-carboxamide
CID 91772934
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-2-(3-fluorophenoxy)acetamide
CID 91761705
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-imidazol-1-ylacetamide
CID 91769787
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]propanamide
CID 91786082

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide?
The IUPAC name of 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide (CID 91796753) is 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide.
What is the SMILES notation for 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide?
The canonical SMILES for 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide is NC(=O)COCC(=O)N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1.
What is the InChIKey of 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide?
The InChIKey is ZQHYHXKGFXKYGB-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19FN2O5/c16-10-2-1-3-11(6-10)23-13-4-5-21-7-12(13)18-15(20)9-22-8-14(17)19/h1-3,6,12-13H,4-5,7-9H2,(H2,17,19)(H,18,20)/t12-,13+/m1/s1.
What are the key properties of 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide?
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide has a molecular weight of 326.32 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 91796753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).