2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide

C16H22FN3O4 — CID 133265962

IUPAC2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide
SMILESNC(=O)CO[C@@H]1CCOC[C@@H]1NC(=O)NCCc1ccccc1F
InChIInChI=1S/C16H22FN3O4/c17-12-4-2-1-3-11(12)5-7-19-16(22)20-13-9-23-8-6-14(13)24-10-15(18)21/h1-4,13-14H,5-10H2,(H2,18,21)(H2,19,20,22)/t13-,14+/m0/s1
InChIKeyDNUCYCABOCKODU-UONOGXRCSA-N
MW339.37 g/mol
LogP0.33
Rot. Bonds7

About 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide

2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide (PubChem CID 133265962) has the molecular formula C16H22FN3O4 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide
PubChem CID133265962
Molecular FormulaC16H22FN3O4
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC Name2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide
SMILESNC(=O)CO[C@@H]1CCOC[C@@H]1NC(=O)NCCc1ccccc1F
InChIInChI=1S/C16H22FN3O4/c17-12-4-2-1-3-11(12)5-7-19-16(22)20-13-9-23-8-6-14(13)24-10-15(18)21/h1-4,13-14H,5-10H2,(H2,18,21)(H2,19,20,22)/t13-,14+/m0/s1
InChIKeyDNUCYCABOCKODU-UONOGXRCSA-N
XLogP0.33
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
CID 91767703
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(3,4-dimethylphenyl)acetamide
CID 91775491
2-[(3R,4S)-3-[[1-(2-fluorophenyl)piperidin-4-yl]amino]oxan-4-yl]oxyacetamide
CID 91798372
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-2-(benzotriazol-2-yl)acetamide
CID 90653846
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895027
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
1-[(4-fluorophenyl)methyl]-3-[(3R,4R)-4-(pyridin-2-ylmethoxy)oxan-3-yl]urea
CID 91764941
2-(3-fluorophenyl)-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]acetamide
CID 91785233
1-[2-(2-fluorophenyl)ethyl]-3-[2-[(2R,4S)-2-methyloxan-4-yl]ethyl]urea
CID 129471572
1-[(E)-2-cyclopropylethenyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108916003
N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129338521

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide?
The IUPAC name of 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide (CID 133265962) is 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide.
What is the SMILES notation for 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide?
The canonical SMILES for 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide is NC(=O)CO[C@@H]1CCOC[C@@H]1NC(=O)NCCc1ccccc1F.
What is the InChIKey of 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide?
The InChIKey is DNUCYCABOCKODU-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22FN3O4/c17-12-4-2-1-3-11(12)5-7-19-16(22)20-13-9-23-8-6-14(13)24-10-15(18)21/h1-4,13-14H,5-10H2,(H2,18,21)(H2,19,20,22)/t13-,14+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide?
2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide has a molecular weight of 339.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-[2-(2-fluorophenyl)ethylcarbamoylamino]oxan-4-yl]oxyacetamide is sourced from PubChem (CID 133265962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).