N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide

C15H20N2O4 — CID 110710104

IUPACN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide
SMILESCN1CC(CNC(=O)CCOc2ccccc2)OCC1=O
InChIInChI=1S/C15H20N2O4/c1-17-10-13(21-11-15(17)19)9-16-14(18)7-8-20-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18)
InChIKeyABGPEGYKLTYUIU-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.43
Rot. Bonds6

About N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide

N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide (PubChem CID 110710104) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide
PubChem CID110710104
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide
SMILESCN1CC(CNC(=O)CCOc2ccccc2)OCC1=O
InChIInChI=1S/C15H20N2O4/c1-17-10-13(21-11-15(17)19)9-16-14(18)7-8-20-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18)
InChIKeyABGPEGYKLTYUIU-UHFFFAOYSA-N
XLogP0.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-methylphenyl)-5-oxomorpholin-2-yl]methyl]-3-phenoxypropanamide
CID 110367217
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]propanamide
CID 110710106
2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
CID 110710097
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
4-methoxy-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzamide
CID 110710086
4-(azepan-1-yl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]butanamide
CID 131949422
N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-phenoxypropanamide
CID 110327898
3-(2-aminophenoxy)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79079684
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-phenoxyacetamide
CID 91626502
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750967
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
CID 110640189

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide?
The IUPAC name of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide (CID 110710104) is N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide is CN1CC(CNC(=O)CCOc2ccccc2)OCC1=O.
What is the InChIKey of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide?
The InChIKey is ABGPEGYKLTYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17-10-13(21-11-15(17)19)9-16-14(18)7-8-20-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18).
What are the key properties of N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide?
N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide has a molecular weight of 292.33 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-oxomorpholin-2-yl)methyl]-3-phenoxypropanamide is sourced from PubChem (CID 110710104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).