2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one

C125H167N8O16P3S — CID 158594644

IUPAC2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
SMILESCCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1.Cc1cc(C)c(C(=O)P(=O)(OCCCN(C)C)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(=O)(OCCN(C)C)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(=O)(OCCOCCN(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H32N2O2.C23H30N2O2.C22H30NO4P.C21H28NO3P.C20H26NO3P.C15H21NO2S/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26;1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25;1-17-15-18(2)21(19(3)16-17)22(24)28(25,20-9-7-6-8-10-20)27-14-13-26-12-11-23(4)5;1-16-14-17(2)20(18(3)15-16)21(23)26(24,19-10-7-6-8-11-19)25-13-9-12-22(4)5;1-15-13-16(2)19(17(3)14-15)20(22)25(23,24-12-11-21(4)5)18-9-7-6-8-10-18;1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h6-13H,5,14-18H2,1-4H3;5-13H,4,14-18H2,1-3H3;6-10,15-16H,11-14H2,1-5H3;6-8,10-11,14-15H,9,12-13H2,1-5H3;6-10,13-14H,11-12H2,1-5H3;4-7H,8-11H2,1-3H3
InChIKeyHUWIHTSPIUBZPK-UHFFFAOYSA-N
MW2162.74 g/mol
LogP22.54
Rot. Bonds43

About 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one

2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one (PubChem CID 158594644) has the molecular formula C125H167N8O16P3S and a molecular weight of 2162.74 g/mol. Its IUPAC name is 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
PubChem CID158594644
Molecular FormulaC125H167N8O16P3S
Molecular Weight2162.74 g/mol
Exact Mass2161.14
IUPAC Name2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
SMILESCCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1.Cc1cc(C)c(C(=O)P(=O)(OCCCN(C)C)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(=O)(OCCN(C)C)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(=O)(OCCOCCN(C)C)c2ccccc2)c(C)c1
InChIInChI=1S/C24H32N2O2.C23H30N2O2.C22H30NO4P.C21H28NO3P.C20H26NO3P.C15H21NO2S/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26;1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25;1-17-15-18(2)21(19(3)16-17)22(24)28(25,20-9-7-6-8-10-20)27-14-13-26-12-11-23(4)5;1-16-14-17(2)20(18(3)15-16)21(23)26(24,19-10-7-6-8-11-19)25-13-9-12-22(4)5;1-15-13-16(2)19(17(3)14-15)20(22)25(23,24-12-11-21(4)5)18-9-7-6-8-10-18;1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h6-13H,5,14-18H2,1-4H3;5-13H,4,14-18H2,1-3H3;6-10,15-16H,11-14H2,1-5H3;6-8,10-11,14-15H,9,12-13H2,1-5H3;6-10,13-14H,11-12H2,1-5H3;4-7H,8-11H2,1-3H3
InChIKeyHUWIHTSPIUBZPK-UHFFFAOYSA-N
XLogP22.54
TPSA244.16 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds43
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002162.74
LogP ≤ 522.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one with MolForge

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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-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;bis(cyclopentane);1-[2-fluoro-3-[2-(2-fluoro-6-methyl-3-pyrrol-1-ylphenyl)propan-2-yl]-4-methylphenyl]pyrrole;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
CID 162286972
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
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 158412646
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)-1-[4-(4-ethylpiperazin-1-yl)phenyl]butan-1-one
CID 155346752
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
3-(dimethylamino)-3-[(4-methylphenyl)methyl]-4-(4-morpholin-4-ylphenyl)butan-2-one
CID 66716078
2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-piperazin-1-ylphenyl)butan-1-one;4-[2-(dimethylamino)-2-(4-piperazin-1-ylbenzoyl)butyl]benzaldehyde;4-methylpiperazine-1-carbaldehyde
CID 145400654
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;(4-ethenylphenyl)methyl 2-[(Z)-[2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropylidene]amino]peroxyacetate;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one;methyl 2-[(Z)-[2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropylidene]amino]oxyacetate;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one;(Z)-2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-yl-N-prop-2-enoxypropan-1-imine;2-[2-[(Z)-[2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropylidene]amino]peroxyacetyl]oxyethyl prop-2-enoate
CID 172980887
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one (CID 158594644) is 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one is CCC(Cc1ccc(C)cc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1.Cc1cc(C)c(C(=O)P(=O)(OCCCN(C)C)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(=O)(OCCN(C)C)c2ccccc2)c(C)c1.Cc1cc(C)c(C(=O)P(=O)(OCCOCCN(C)C)c2ccccc2)c(C)c1.
What is the InChIKey of 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is HUWIHTSPIUBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2.C23H30N2O2.C22H30NO4P.C21H28NO3P.C20H26NO3P.C15H21NO2S/c1-5-24(25(3)4,18-20-8-6-19(2)7-9-20)23(27)21-10-12-22(13-11-21)26-14-16-28-17-15-26;1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25;1-17-15-18(2)21(19(3)16-17)22(24)28(25,20-9-7-6-8-10-20)27-14-13-26-12-11-23(4)5;1-16-14-17(2)20(18(3)15-16)21(23)26(24,19-10-7-6-8-11-19)25-13-9-12-22(4)5;1-15-13-16(2)19(17(3)14-15)20(22)25(23,24-12-11-21(4)5)18-9-7-6-8-10-18;1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h6-13H,5,14-18H2,1-4H3;5-13H,4,14-18H2,1-3H3;6-10,15-16H,11-14H2,1-5H3;6-8,10-11,14-15H,9,12-13H2,1-5H3;6-10,13-14H,11-12H2,1-5H3;4-7H,8-11H2,1-3H3.
What are the key properties of 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one?
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one has a molecular weight of 2162.74 g/mol, XLogP of 22.54, 43 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[2-[2-(dimethylamino)ethoxy]ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;[2-(dimethylamino)ethoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-(dimethylamino)-2-[(4-methylphenyl)methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one;[3-(dimethylamino)propoxy-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone;2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 158594644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).