4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one

C23H30N2O2 — CID 68890716

IUPAC4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
SMILESCC(C)(CC(N)Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2,17-20(24)16-18-6-4-3-5-7-18)22(26)19-8-10-21(11-9-19)25-12-14-27-15-13-25/h3-11,20H,12-17,24H2,1-2H3
InChIKeyJESASPJMGDSCBP-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.69
Rot. Bonds7

About 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one

4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one (PubChem CID 68890716) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
PubChem CID68890716
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
SMILESCC(C)(CC(N)Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-23(2,17-20(24)16-18-6-4-3-5-7-18)22(26)19-8-10-21(11-9-19)25-12-14-27-15-13-25/h3-11,20H,12-17,24H2,1-2H3
InChIKeyJESASPJMGDSCBP-UHFFFAOYSA-N
XLogP3.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4,4-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57126058
(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
CID 131873298
2,2-bis(methylamino)-1-(4-morpholin-4-ylphenyl)-4-phenylbutan-1-one
CID 174831575
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
[(2S)-2-benzyl-1-(4-morpholin-4-ylphenyl)-1-oxobutan-2-yl]-dimethylazanium
CID 6966491
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
3,5,5-trimethyl-1-(4-morpholin-4-ylphenyl)hexan-1-one
CID 59941203
[benzyl(dimethyl)stannyl]-(4-morpholin-4-ylphenyl)methanone
CID 174435606
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
4-amino-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)hexan-1-one
CID 156564758
2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 164713973
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one?
The IUPAC name of 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one (CID 68890716) is 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one.
What is the SMILES notation for 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one?
The canonical SMILES for 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one is CC(C)(CC(N)Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one?
The InChIKey is JESASPJMGDSCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-23(2,17-20(24)16-18-6-4-3-5-7-18)22(26)19-8-10-21(11-9-19)25-12-14-27-15-13-25/h3-11,20H,12-17,24H2,1-2H3.
What are the key properties of 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one?
4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one has a molecular weight of 366.51 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one is sourced from PubChem (CID 68890716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).