1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one

C23H30N2O2 — CID 86893294

IUPAC1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one
SMILESCC(C)c1ccc(CNCC(C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O2/c1-18(2)20-10-8-19(9-11-20)16-24-17-22(21-6-4-3-5-7-21)23(26)25-12-14-27-15-13-25/h3-11,18,22,24H,12-17H2,1-2H3
InChIKeyAELBAQUCKUHNIO-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.54
Rot. Bonds7

About 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one

1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one (PubChem CID 86893294) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one
PubChem CID86893294
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one
SMILESCC(C)c1ccc(CNCC(C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C23H30N2O2/c1-18(2)20-10-8-19(9-11-20)16-24-17-22(21-6-4-3-5-7-21)23(26)25-12-14-27-15-13-25/h3-11,18,22,24H,12-17H2,1-2H3
InChIKeyAELBAQUCKUHNIO-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dichlorophenyl)methylamino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 86893298
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
CID 110674004
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
1-[2-(4-chlorophenyl)ethyl]-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111197411
1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886974
2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one
CID 55047533
4-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]benzenesulfonic acid
CID 142671079
2-methyl-1-(3-methylbutyl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 110978954
2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(3-phenylpropyl)guanidine
CID 111200226

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one (CID 86893294) is 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one is CC(C)c1ccc(CNCC(C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one?
The InChIKey is AELBAQUCKUHNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)20-10-8-19(9-11-20)16-24-17-22(21-6-4-3-5-7-21)23(26)25-12-14-27-15-13-25/h3-11,18,22,24H,12-17H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one?
1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one has a molecular weight of 366.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one is sourced from PubChem (CID 86893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).