2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one

C24H32N2O2 — CID 156698871

IUPAC2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one
SMILESCCC(Cc1cccc(N(C)C)c1C)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-5-19(17-21-7-6-8-23(18(21)2)25(3)4)24(27)20-9-11-22(12-10-20)26-13-15-28-16-14-26/h6-12,19H,5,13-17H2,1-4H3
InChIKeyJMGRQNWKHHLMMG-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.35
Rot. Bonds7

About 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one

2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one (PubChem CID 156698871) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one
PubChem CID156698871
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one
SMILESCCC(Cc1cccc(N(C)C)c1C)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-5-19(17-21-7-6-8-23(18(21)2)25(3)4)24(27)20-9-11-22(12-10-20)26-13-15-28-16-14-26/h6-12,19H,5,13-17H2,1-4H3
InChIKeyJMGRQNWKHHLMMG-UHFFFAOYSA-N
XLogP4.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one
CID 68649647
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820
4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
CID 156564758
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
2-benzylbutanal;2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 175047147
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57110605
4-(butan-2-ylsulfamoyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 42920355
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one?
The IUPAC name of 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one (CID 156698871) is 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one?
The canonical SMILES for 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one is CCC(Cc1cccc(N(C)C)c1C)C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one?
The InChIKey is JMGRQNWKHHLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-5-19(17-21-7-6-8-23(18(21)2)25(3)4)24(27)20-9-11-22(12-10-20)26-13-15-28-16-14-26/h6-12,19H,5,13-17H2,1-4H3.
What are the key properties of 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one?
2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one has a molecular weight of 380.53 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one is sourced from PubChem (CID 156698871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).