2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone

C34H43N3O4 — CID 90024820

IUPAC2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
SMILESCCC(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.O=C(Cc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19NO2.C16H24N2O2/c20-18(14-15-4-2-1-3-5-15)16-6-8-17(9-7-16)19-10-12-21-13-11-19;1-4-15(17(2)3)16(19)13-5-7-14(8-6-13)18-9-11-20-12-10-18/h1-9H,10-14H2;5-8,15H,4,9-12H2,1-3H3
InChIKeyXCTOCHNTWPUGKQ-UHFFFAOYSA-N
MW557.74 g/mol
LogP4.99
Rot. Bonds9

About 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone

2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone (PubChem CID 90024820) has the molecular formula C34H43N3O4 and a molecular weight of 557.74 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
PubChem CID90024820
Molecular FormulaC34H43N3O4
Molecular Weight557.74 g/mol
Exact Mass557.33
IUPAC Name2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
SMILESCCC(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.O=C(Cc1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19NO2.C16H24N2O2/c20-18(14-15-4-2-1-3-5-15)16-6-8-17(9-7-16)19-10-12-21-13-11-19;1-4-15(17(2)3)16(19)13-5-7-14(8-6-13)18-9-11-20-12-10-18/h1-9H,10-14H2;5-8,15H,4,9-12H2,1-3H3
InChIKeyXCTOCHNTWPUGKQ-UHFFFAOYSA-N
XLogP4.99
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.74
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone with MolForge

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Related Compounds

2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57110605
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-benzylbutanal;2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 175047147
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
CID 149139518
[benzyl(dimethyl)stannyl]-(4-morpholin-4-ylphenyl)methanone
CID 174435606
2-amino-4,4-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57126058
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 68890716
2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one
CID 175073819
2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one
CID 68649647
2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 156698871
(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 146309814

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone (CID 90024820) is 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone is CCC(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.O=C(Cc1ccccc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone?
The InChIKey is XCTOCHNTWPUGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.C16H24N2O2/c20-18(14-15-4-2-1-3-5-15)16-6-8-17(9-7-16)19-10-12-21-13-11-19;1-4-15(17(2)3)16(19)13-5-7-14(8-6-13)18-9-11-20-12-10-18/h1-9H,10-14H2;5-8,15H,4,9-12H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone?
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone has a molecular weight of 557.74 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone is sourced from PubChem (CID 90024820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).