(3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C198H244N18O31S — CID 158266838

IUPAC(3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCCCN(C)CCOc1ccc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)cc1OC.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC(C)C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC1CC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1c(C)noc1C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1ccccc1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1cnoc1C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1sc(NC(C)=O)nc1C
InChIInChI=1S/C30H36N4O5S.C30H34N2O4.C29H35N3O5.C28H33N3O5.C27H34N2O4.2C27H36N2O4/c1-19-28(40-30(31-19)32-20(2)35)18-33(3)15-16-38-25-12-9-23(17-27(25)37-4)34-14-13-26(29(34)36)39-24-10-7-22(8-11-24)21-5-6-21;1-31(21-22-6-4-3-5-7-22)18-19-35-27-15-12-25(20-29(27)34-2)32-17-16-28(30(32)33)36-26-13-10-24(11-14-26)23-8-9-23;1-19-25(20(2)37-30-19)18-31(3)15-16-35-26-12-9-23(17-28(26)34-4)32-14-13-27(29(32)33)36-24-10-7-22(8-11-24)21-5-6-21;1-19-22(17-29-36-19)18-30(2)14-15-34-25-11-8-23(16-27(25)33-3)31-13-12-26(28(31)32)35-24-9-6-21(7-10-24)20-4-5-20;1-28(18-19-3-4-19)15-16-32-24-12-9-22(17-26(24)31-2)29-14-13-25(27(29)30)33-23-10-7-21(8-11-23)20-5-6-20;1-19(2)18-28(3)15-16-32-24-12-9-22(17-26(24)31-4)29-14-13-25(27(29)30)33-23-10-7-21(8-11-23)20-5-6-20;1-4-5-15-28(2)17-18-32-24-13-10-22(19-26(24)31-3)29-16-14-25(27(29)30)33-23-11-8-21(9-12-23)20-6-7-20/h7-12,17,21,26H,5-6,13-16,18H2,1-4H3,(H,31,32,35);3-7,10-15,20,23,28H,8-9,16-19,21H2,1-2H3;7-12,17,21,27H,5-6,13-16,18H2,1-4H3;6-11,16-17,20,26H,4-5,12-15,18H2,1-3H3;7-12,17,19-20,25H,3-6,13-16,18H2,1-2H3;7-12,17,19-20,25H,5-6,13-16,18H2,1-4H3;8-13,19-20,25H,4-7,14-18H2,1-3H3/t26-;28-;27-;26-;3*25-/m0000000/s1
InChIKeyGINYVSTZSOURRD-UOBHTQDFSA-N
MW3404.29 g/mol
LogP33.76
Rot. Bonds79

About (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide

(3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 158266838) has the molecular formula C198H244N18O31S and a molecular weight of 3404.29 g/mol. Its IUPAC name is (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name(3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID158266838
Molecular FormulaC198H244N18O31S
Molecular Weight3404.29 g/mol
Exact Mass3401.78
IUPAC Name(3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCCCCN(C)CCOc1ccc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)cc1OC.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC(C)C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC1CC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1c(C)noc1C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1ccccc1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1cnoc1C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1sc(NC(C)=O)nc1C
InChIInChI=1S/C30H36N4O5S.C30H34N2O4.C29H35N3O5.C28H33N3O5.C27H34N2O4.2C27H36N2O4/c1-19-28(40-30(31-19)32-20(2)35)18-33(3)15-16-38-25-12-9-23(17-27(25)37-4)34-14-13-26(29(34)36)39-24-10-7-22(8-11-24)21-5-6-21;1-31(21-22-6-4-3-5-7-22)18-19-35-27-15-12-25(20-29(27)34-2)32-17-16-28(30(32)33)36-26-13-10-24(11-14-26)23-8-9-23;1-19-25(20(2)37-30-19)18-31(3)15-16-35-26-12-9-23(17-28(26)34-4)32-14-13-27(29(32)33)36-24-10-7-22(8-11-24)21-5-6-21;1-19-22(17-29-36-19)18-30(2)14-15-34-25-11-8-23(16-27(25)33-3)31-13-12-26(28(31)32)35-24-9-6-21(7-10-24)20-4-5-20;1-28(18-19-3-4-19)15-16-32-24-12-9-22(17-26(24)31-2)29-14-13-25(27(29)30)33-23-10-7-21(8-11-23)20-5-6-20;1-19(2)18-28(3)15-16-32-24-12-9-22(17-26(24)31-4)29-14-13-25(27(29)30)33-23-10-7-21(8-11-23)20-5-6-20;1-4-5-15-28(2)17-18-32-24-13-10-22(19-26(24)31-3)29-16-14-25(27(29)30)33-23-11-8-21(9-12-23)20-6-7-20/h7-12,17,21,26H,5-6,13-16,18H2,1-4H3,(H,31,32,35);3-7,10-15,20,23,28H,8-9,16-19,21H2,1-2H3;7-12,17,21,27H,5-6,13-16,18H2,1-4H3;6-11,16-17,20,26H,4-5,12-15,18H2,1-3H3;7-12,17,19-20,25H,3-6,13-16,18H2,1-2H3;7-12,17,19-20,25H,5-6,13-16,18H2,1-4H3;8-13,19-20,25H,4-7,14-18H2,1-3H3/t26-;28-;27-;26-;3*25-/m0000000/s1
InChIKeyGINYVSTZSOURRD-UOBHTQDFSA-N
XLogP33.76
TPSA452.73 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds79
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003404.29
LogP ≤ 533.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

(3R)-1-[2-(but-1-en-2-ylamino)-4-methyl-1,3-thiazol-5-yl]-3-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]butan-1-one;3-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,1-dimethylurea;N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1H-pyrrole-3-carboxamide;N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]thiophene-2-carboxamide;methyl N-[(1S)-1-[4-[1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]carbamate
CID 162078922

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 158266838) is (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CCCCN(C)CCOc1ccc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)cc1OC.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC(C)C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)CC1CC1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1c(C)noc1C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1ccccc1.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1cnoc1C.COc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)Cc1sc(NC(C)=O)nc1C.
What is the InChIKey of (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is GINYVSTZSOURRD-UOBHTQDFSA-N. The full InChI is InChI=1S/C30H36N4O5S.C30H34N2O4.C29H35N3O5.C28H33N3O5.C27H34N2O4.2C27H36N2O4/c1-19-28(40-30(31-19)32-20(2)35)18-33(3)15-16-38-25-12-9-23(17-27(25)37-4)34-14-13-26(29(34)36)39-24-10-7-22(8-11-24)21-5-6-21;1-31(21-22-6-4-3-5-7-22)18-19-35-27-15-12-25(20-29(27)34-2)32-17-16-28(30(32)33)36-26-13-10-24(11-14-26)23-8-9-23;1-19-25(20(2)37-30-19)18-31(3)15-16-35-26-12-9-23(17-28(26)34-4)32-14-13-27(29(32)33)36-24-10-7-22(8-11-24)21-5-6-21;1-19-22(17-29-36-19)18-30(2)14-15-34-25-11-8-23(16-27(25)33-3)31-13-12-26(28(31)32)35-24-9-6-21(7-10-24)20-4-5-20;1-28(18-19-3-4-19)15-16-32-24-12-9-22(17-26(24)31-2)29-14-13-25(27(29)30)33-23-10-7-21(8-11-23)20-5-6-20;1-19(2)18-28(3)15-16-32-24-12-9-22(17-26(24)31-4)29-14-13-25(27(29)30)33-23-10-7-21(8-11-23)20-5-6-20;1-4-5-15-28(2)17-18-32-24-13-10-22(19-26(24)31-3)29-16-14-25(27(29)30)33-23-11-8-21(9-12-23)20-6-7-20/h7-12,17,21,26H,5-6,13-16,18H2,1-4H3,(H,31,32,35);3-7,10-15,20,23,28H,8-9,16-19,21H2,1-2H3;7-12,17,21,27H,5-6,13-16,18H2,1-4H3;6-11,16-17,20,26H,4-5,12-15,18H2,1-3H3;7-12,17,19-20,25H,3-6,13-16,18H2,1-2H3;7-12,17,19-20,25H,5-6,13-16,18H2,1-4H3;8-13,19-20,25H,4-7,14-18H2,1-3H3/t26-;28-;27-;26-;3*25-/m0000000/s1.
What are the key properties of (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
(3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 3404.29 g/mol, XLogP of 33.76, 79 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[butyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-1-[4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]-3-methoxyphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]ethoxy]-3-methoxyphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl-[(5-methyl-1,2-oxazol-4-yl)methyl]amino]ethoxy]phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methoxy-4-[2-[methyl(2-methylpropyl)amino]ethoxy]phenyl]pyrrolidin-2-one;N-[5-[[2-[4-[(3S)-3-(4-cyclopropylphenoxy)-2-oxopyrrolidin-1-yl]-2-methoxyphenoxy]ethyl-methylamino]methyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 158266838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).