3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide

C14H18N2O3 — CID 25102504

IUPAC3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide
SMILESCc1ccc(C2CN(CCC(N)=O)C(=O)CO2)cc1
InChIInChI=1S/C14H18N2O3/c1-10-2-4-11(5-3-10)12-8-16(7-6-13(15)17)14(18)9-19-12/h2-5,12H,6-9H2,1H3,(H2,15,17)
InChIKeyHVTPLKJVYMMQSO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.77
Rot. Bonds4

About 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide

3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide (PubChem CID 25102504) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide
PubChem CID25102504
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide
SMILESCc1ccc(C2CN(CCC(N)=O)C(=O)CO2)cc1
InChIInChI=1S/C14H18N2O3/c1-10-2-4-11(5-3-10)12-8-16(7-6-13(15)17)14(18)9-19-12/h2-5,12H,6-9H2,1H3,(H2,15,17)
InChIKeyHVTPLKJVYMMQSO-UHFFFAOYSA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide?
The IUPAC name of 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide (CID 25102504) is 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide.
What is the SMILES notation for 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide?
The canonical SMILES for 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide is Cc1ccc(C2CN(CCC(N)=O)C(=O)CO2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide?
The InChIKey is HVTPLKJVYMMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-2-4-11(5-3-10)12-8-16(7-6-13(15)17)14(18)9-19-12/h2-5,12H,6-9H2,1H3,(H2,15,17).
What are the key properties of 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide?
3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide has a molecular weight of 262.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)-5-oxomorpholin-4-yl]propanamide is sourced from PubChem (CID 25102504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).