2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one

C23H30N2O2 — CID 174589642

IUPAC2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one
SMILESCCC(Cc1ccccc1N1CCOCC1)(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C23H30N2O2/c1-4-23(24(2)3,22(26)19-10-6-5-7-11-19)18-20-12-8-9-13-21(20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
InChIKeyJOJXMRUZPWHNPZ-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.66
Rot. Bonds7

About 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one

2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one (PubChem CID 174589642) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one
PubChem CID174589642
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one
SMILESCCC(Cc1ccccc1N1CCOCC1)(C(=O)c1ccccc1)N(C)C
InChIInChI=1S/C23H30N2O2/c1-4-23(24(2)3,22(26)19-10-6-5-7-11-19)18-20-12-8-9-13-21(20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
InChIKeyJOJXMRUZPWHNPZ-UHFFFAOYSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2,2-dimethylpropyl)phenyl]morpholine
CID 58063137
2-benzyl-N,N-dimethyl-1-(2-morpholin-4-ylphenyl)butan-2-amine;formamide
CID 175252354
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
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568
2-benzyl-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)phenyl]butan-1-one
CID 155346752
2-methyl-1-(2-morpholin-4-ylphenyl)propan-2-amine
CID 82620484
3-[[(2-morpholin-4-ylphenyl)methylamino]methyl]benzoic acid
CID 120509971
2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one
CID 175147808
2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one
CID 175082055
(2R)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-phenylbutanamide
CID 51925060
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)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one
CID 54422455

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one?
The IUPAC name of 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one (CID 174589642) is 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one is CCC(Cc1ccccc1N1CCOCC1)(C(=O)c1ccccc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one?
The InChIKey is JOJXMRUZPWHNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-23(24(2)3,22(26)19-10-6-5-7-11-19)18-20-12-8-9-13-21(20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one?
2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one has a molecular weight of 366.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one is sourced from PubChem (CID 174589642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).