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

C24H32N2O2 — CID 66716078

IUPAC3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
SMILESCC(=O)C(Cc1ccc(C)cc1)(Cc1ccc(N2CCOCC2)cc1)N(C)C
InChIInChI=1S/C24H32N2O2/c1-19-5-7-21(8-6-19)17-24(20(2)27,25(3)4)18-22-9-11-23(12-10-22)26-13-15-28-16-14-26/h5-12H,13-18H2,1-4H3
InChIKeyYJJHQSGGDUPVQK-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.51
Rot. Bonds7

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

3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one (PubChem CID 66716078) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
PubChem CID66716078
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
SMILESCC(=O)C(Cc1ccc(C)cc1)(Cc1ccc(N2CCOCC2)cc1)N(C)C
InChIInChI=1S/C24H32N2O2/c1-19-5-7-21(8-6-19)17-24(20(2)27,25(3)4)18-22-9-11-23(12-10-22)26-13-15-28-16-14-26/h5-12H,13-18H2,1-4H3
InChIKeyYJJHQSGGDUPVQK-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
CID 175491521
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568
2-(dimethylamino)-2-methyl-3-(4-morpholin-4-ylphenyl)propanal
CID 87090040
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 161064034
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110622168
(4S)-4-(dimethylamino)-5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 146309814
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
1-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-4-[3-[4-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-2-hydroxy-3,4-dioxobutoxy]-2,2-bis[[4-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-2-hydroxy-3,4-dioxobutoxy]methyl]propoxy]-3-hydroxybutane-1,2-dione
CID 129174730
2-[(4-methylphenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7922333
2-[butyl(methyl)amino]-2-[(4-butylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 154135338
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one?
The IUPAC name of 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one (CID 66716078) is 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one.
What is the SMILES notation for 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one?
The canonical SMILES for 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one is CC(=O)C(Cc1ccc(C)cc1)(Cc1ccc(N2CCOCC2)cc1)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one?
The InChIKey is YJJHQSGGDUPVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19-5-7-21(8-6-19)17-24(20(2)27,25(3)4)18-22-9-11-23(12-10-22)26-13-15-28-16-14-26/h5-12H,13-18H2,1-4H3.
What are the key properties of 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one?
3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one has a molecular weight of 380.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one is sourced from PubChem (CID 66716078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).