N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide

C13H16N2O4 — CID 71693227

IUPACN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1
InChIInChI=1S/C13H16N2O4/c1-8(17)14-10-4-2-9(3-5-10)13-11(6-16)15-12(18)7-19-13/h2-5,11,13,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t11-,13-/m1/s1
InChIKeyJODRNCQIERYPBA-DGCLKSJQSA-N
MW264.28 g/mol
LogP0.19
Rot. Bonds3

About N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide

N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide (PubChem CID 71693227) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide
PubChem CID71693227
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1
InChIInChI=1S/C13H16N2O4/c1-8(17)14-10-4-2-9(3-5-10)13-11(6-16)15-12(18)7-19-13/h2-5,11,13,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t11-,13-/m1/s1
InChIKeyJODRNCQIERYPBA-DGCLKSJQSA-N
XLogP0.19
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide?
The IUPAC name of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide (CID 71693227) is N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc([C@H]2OCC(=O)N[C@@H]2CO)cc1.
What is the InChIKey of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide?
The InChIKey is JODRNCQIERYPBA-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8(17)14-10-4-2-9(3-5-10)13-11(6-16)15-12(18)7-19-13/h2-5,11,13,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t11-,13-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide?
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]acetamide is sourced from PubChem (CID 71693227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).