4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one

C17H26N2O2 — CID 119798504

IUPAC4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
SMILESCNCCCC(=O)N1CC(c2ccccc2C)OCC1C
InChIInChI=1S/C17H26N2O2/c1-13-7-4-5-8-15(13)16-11-19(14(2)12-21-16)17(20)9-6-10-18-3/h4-5,7-8,14,16,18H,6,9-12H2,1-3H3
InChIKeyPXKSWFRHJLLCID-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds5

About 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one

4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one (PubChem CID 119798504) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
PubChem CID119798504
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
SMILESCNCCCC(=O)N1CC(c2ccccc2C)OCC1C
InChIInChI=1S/C17H26N2O2/c1-13-7-4-5-8-15(13)16-11-19(14(2)12-21-16)17(20)9-6-10-18-3/h4-5,7-8,14,16,18H,6,9-12H2,1-3H3
InChIKeyPXKSWFRHJLLCID-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-4-(methylamino)butan-1-one
CID 119784334
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
3-(2-aminophenyl)-1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 125120344
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one
CID 60842405
1-(2,5-dimethylmorpholin-4-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119729187
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
CID 97007562
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one (CID 119798504) is 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one is CNCCCC(=O)N1CC(c2ccccc2C)OCC1C.
What is the InChIKey of 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
The InChIKey is PXKSWFRHJLLCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-4-5-8-15(13)16-11-19(14(2)12-21-16)17(20)9-6-10-18-3/h4-5,7-8,14,16,18H,6,9-12H2,1-3H3.
What are the key properties of 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one?
4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 119798504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).