4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one

C16H24N2O2 — CID 79469491

IUPAC4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one
SMILESCCCNC(CN1CCOCC1=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-3-8-17-15(14-6-4-13(2)5-7-14)11-18-9-10-20-12-16(18)19/h4-7,15,17H,3,8-12H2,1-2H3
InChIKeyRWEMIGPWVGYJSA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds6

About 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one

4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one (PubChem CID 79469491) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one
PubChem CID79469491
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one
SMILESCCCNC(CN1CCOCC1=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-3-8-17-15(14-6-4-13(2)5-7-14)11-18-9-10-20-12-16(18)19/h4-7,15,17H,3,8-12H2,1-2H3
InChIKeyRWEMIGPWVGYJSA-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(ethylamino)-2-(4-methylphenyl)ethyl]morpholin-3-one
CID 79468530
4-[2-(propylamino)propyl]morpholin-3-one
CID 79468803
4-[2-(propylamino)pentyl]morpholin-3-one
CID 79467992
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
CID 63163998
4-[2-methyl-2-(4-methylphenyl)propyl]morpholin-3-one
CID 59020126
5-methyl-2-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyridazin-3-one
CID 106548507
N-[1-(4-methylphenyl)-2-propan-2-ylsulfinylethyl]propan-1-amine
CID 64656607
N-[1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)ethyl]propan-1-amine
CID 79332413
4-(2-hydroxy-2-phenylethyl)morpholin-3-one
CID 79469635
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491666
4-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]morpholin-3-one
CID 79467881
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one?
The IUPAC name of 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one (CID 79469491) is 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one.
What is the SMILES notation for 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one?
The canonical SMILES for 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one is CCCNC(CN1CCOCC1=O)c1ccc(C)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one?
The InChIKey is RWEMIGPWVGYJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-8-17-15(14-6-4-13(2)5-7-14)11-18-9-10-20-12-16(18)19/h4-7,15,17H,3,8-12H2,1-2H3.
What are the key properties of 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one?
4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-2-(propylamino)ethyl]morpholin-3-one is sourced from PubChem (CID 79469491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).