N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide

C15H20N2O4 — CID 134695894

IUPACN-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(19)16-9-14(20)17-7-8-21-13(10-18)15(17)12-5-3-2-4-6-12/h2-6,13,15,18H,7-10H2,1H3,(H,16,19)/t13-,15-/m1/s1
InChIKeyWJGBXFGGHJZKNK-UKRRQHHQSA-N
MW292.33 g/mol
LogP0.08
Rot. Bonds4

About N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide

N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide (PubChem CID 134695894) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
PubChem CID134695894
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(19)16-9-14(20)17-7-8-21-13(10-18)15(17)12-5-3-2-4-6-12/h2-6,13,15,18H,7-10H2,1H3,(H,16,19)/t13-,15-/m1/s1
InChIKeyWJGBXFGGHJZKNK-UKRRQHHQSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]-1,1-dimethylurea
CID 134714041
2-[cyclopentyl(methyl)amino]-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134704253
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 134708065
[2-oxo-2-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethyl]urea
CID 155493453
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]ethanone
CID 134714534
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethoxy]phenyl]propanamide
CID 134705614
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 134698892
[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 134713318
1-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 134712444
(2-fluoro-6-methylphenyl)-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 155916065
2-(cyclopropylamino)-1-[(2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)morpholin-4-yl]ethanone;dihydrochloride
CID 155940011
(2,6-dimethyl-3-pyridinyl)-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]methanone
CID 134712913

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide (CID 134695894) is N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCO[C@H](CO)[C@H]1c1ccccc1.
What is the InChIKey of N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide?
The InChIKey is WJGBXFGGHJZKNK-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(19)16-9-14(20)17-7-8-21-13(10-18)15(17)12-5-3-2-4-6-12/h2-6,13,15,18H,7-10H2,1H3,(H,16,19)/t13-,15-/m1/s1.
What are the key properties of N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide?
N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide has a molecular weight of 292.33 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,3R)-2-(hydroxymethyl)-3-phenylmorpholin-4-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 134695894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).