About [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide
[2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide (PubChem CID 158366270) has the molecular formula C156H163BrF3N15O37
and a molecular weight of 2976.99 g/mol. Its IUPAC name is [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide.
Frequently Asked Questions
What is the IUPAC name of [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide?
The IUPAC name of [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide (CID 158366270) is [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide?
The canonical SMILES for [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide is CN(C)CCn1c(=O)c2cc(O)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CN(C)CCn1c(=O)c2cc(OC(=O)N(C)c3ccccc3OC(=O)CCCBr)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CN(C)CCn1c(=O)c2cc(OC(=O)N(C)c3ccccc3OC(=O)CCCO)c(CO)cc2c2cnc3cc4c(cc3c21)OCO4.CNc1ccccc1OC(=O)CCCOCc1ccc(OC)cc1.COc1ccc(COCCCC(=O)Oc2ccccc2N(C)C(C)=O)cc1.COc1ccc(COCCCC(=O)Oc2ccccc2N)cc1.O=C(Nc1ccccc1O)C(F)(F)F.
What is the InChIKey of [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide?
The InChIKey is GUBJOMMUXPDFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33BrN4O8.C34H34N4O9.C22H21N3O5.C21H25NO5.C19H23NO4.C18H21NO4.C8H6F3NO2/c1-37(2)11-12-39-32-23-15-29-30(45-19-44-29)16-25(23)36-17-24(32)21-13-20(18-40)28(14-22(21)33(39)42)47-34(43)38(3)26-7-4-5-8-27(26)46-31(41)9-6-10-35;1-36(2)10-11-38-32-23-15-29-30(45-19-44-29)16-25(23)35-17-24(32)21-13-20(18-40)28(14-22(21)33(38)42)47-34(43)37(3)26-7-4-5-8-27(26)46-31(41)9-6-12-39;1-24(2)3-4-25-21-15-7-19-20(30-11-29-19)8-17(15)23-9-16(21)13-5-12(10-26)18(27)6-14(13)22(25)28;1-16(23)22(2)19-7-4-5-8-20(19)27-21(24)9-6-14-26-15-17-10-12-18(25-3)13-11-17;1-20-17-6-3-4-7-18(17)24-19(21)8-5-13-23-14-15-9-11-16(22-2)12-10-15;1-21-15-10-8-14(9-11-15)13-22-12-4-7-18(20)23-17-6-3-2-5-16(17)19;9-8(10,11)7(14)12-5-3-1-2-4-6(5)13/h4-5,7-8,13-17,40H,6,9-12,18-19H2,1-3H3;4-5,7-8,13-17,39-40H,6,9-12,18-19H2,1-3H3;5-9,26-27H,3-4,10-11H2,1-2H3;4-5,7-8,10-13H,6,9,14-15H2,1-3H3;3-4,6-7,9-12,20H,5,8,13-14H2,1-2H3;2-3,5-6,8-11H,4,7,12-13,19H2,1H3;1-4,13H,(H,12,14).
What are the key properties of [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide?
[2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide has a molecular weight of 2976.99 g/mol, XLogP of 23.48, 51 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[acetyl(methyl)amino]phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;(2-aminophenyl) 4-[(4-methoxyphenyl)methoxy]butanoate;21-[2-(dimethylamino)ethyl]-17-hydroxy-16-(hydroxymethyl)-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-20-one;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-bromobutanoate;[2-[[21-[2-(dimethylamino)ethyl]-16-(hydroxymethyl)-20-oxo-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14(19),15,17-octaen-17-yl]oxycarbonyl-methylamino]phenyl] 4-hydroxybutanoate;[2-(methylamino)phenyl] 4-[(4-methoxyphenyl)methoxy]butanoate;2,2,2-trifluoro-N-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 158366270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).