(3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one

C184H228N14O24 — CID 161115857

IUPAC(3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)C.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC=CC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](OC)C1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1C[C@@H](O)[C@@H](O)C1.Cc1cc(N2CC[C@@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC1.Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C28H36N2O4.C27H34N2O5.C27H32N2O3.2C26H32N2O3.C25H30N2O3.C25H32N2O3/c1-3-20-18-23(8-11-26(20)33-17-16-29-14-12-25(19-29)32-2)30-15-13-27(28(30)31)34-24-9-6-22(7-10-24)21-4-5-21;1-2-18-15-21(7-10-25(18)33-14-13-28-16-23(30)24(31)17-28)29-12-11-26(27(29)32)34-22-8-5-20(6-9-22)19-3-4-19;1-2-20-19-23(9-12-25(20)31-18-17-28-14-3-4-15-28)29-16-13-26(27(29)30)32-24-10-7-22(8-11-24)21-5-6-21;2*1-19-18-22(8-11-24(19)30-17-16-27-13-2-3-14-27)28-15-12-25(26(28)29)31-23-9-6-21(7-10-23)20-4-5-20;1-18-17-21(7-10-23(18)29-16-15-26-12-2-13-26)27-14-11-24(25(27)28)30-22-8-5-20(6-9-22)19-3-4-19;1-4-18-17-21(9-12-23(18)29-16-15-26(2)3)27-14-13-24(25(27)28)30-22-10-7-20(8-11-22)19-5-6-19/h6-11,18,21,25,27H,3-5,12-17,19H2,1-2H3;5-10,15,19,23-24,26,30-31H,2-4,11-14,16-17H2,1H3;3-4,7-12,19,21,26H,2,5-6,13-18H2,1H3;2*6-11,18,20,25H,2-5,12-17H2,1H3;5-10,17,19,24H,2-4,11-16H2,1H3;7-12,17,19,24H,4-6,13-16H2,1-3H3/t25-,27+;23-,24+,26-;26-;2*25-;2*24-/m1001000/s1
InChIKeyUKHOUTISKDUOCC-RBKLSOEZSA-N
MW3019.92 g/mol
LogP29.15
Rot. Bonds61

About (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one

(3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one (PubChem CID 161115857) has the molecular formula C184H228N14O24 and a molecular weight of 3019.92 g/mol. Its IUPAC name is (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
PubChem CID161115857
Molecular FormulaC184H228N14O24
Molecular Weight3019.92 g/mol
Exact Mass3017.71
IUPAC Name(3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one
SMILESCCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)C.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC=CC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](OC)C1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1C[C@@H](O)[C@@H](O)C1.Cc1cc(N2CC[C@@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC1.Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1
InChIInChI=1S/C28H36N2O4.C27H34N2O5.C27H32N2O3.2C26H32N2O3.C25H30N2O3.C25H32N2O3/c1-3-20-18-23(8-11-26(20)33-17-16-29-14-12-25(19-29)32-2)30-15-13-27(28(30)31)34-24-9-6-22(7-10-24)21-4-5-21;1-2-18-15-21(7-10-25(18)33-14-13-28-16-23(30)24(31)17-28)29-12-11-26(27(29)32)34-22-8-5-20(6-9-22)19-3-4-19;1-2-20-19-23(9-12-25(20)31-18-17-28-14-3-4-15-28)29-16-13-26(27(29)30)32-24-10-7-22(8-11-24)21-5-6-21;2*1-19-18-22(8-11-24(19)30-17-16-27-13-2-3-14-27)28-15-12-25(26(28)29)31-23-9-6-21(7-10-23)20-4-5-20;1-18-17-21(7-10-23(18)29-16-15-26-12-2-13-26)27-14-11-24(25(27)28)30-22-8-5-20(6-9-22)19-3-4-19;1-4-18-17-21(9-12-23(18)29-16-15-26(2)3)27-14-13-24(25(27)28)30-22-10-7-20(8-11-22)19-5-6-19/h6-11,18,21,25,27H,3-5,12-17,19H2,1-2H3;5-10,15,19,23-24,26,30-31H,2-4,11-14,16-17H2,1H3;3-4,7-12,19,21,26H,2,5-6,13-18H2,1H3;2*6-11,18,20,25H,2-5,12-17H2,1H3;5-10,17,19,24H,2-4,11-16H2,1H3;7-12,17,19,24H,4-6,13-16H2,1-3H3/t25-,27+;23-,24+,26-;26-;2*25-;2*24-/m1001000/s1
InChIKeyUKHOUTISKDUOCC-RBKLSOEZSA-N
XLogP29.15
TPSA343.76 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds61
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003019.92
LogP ≤ 529.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one (CID 161115857) is (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one is CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN(C)C.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC=CC1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC[C@@H](OC)C1.CCc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1C[C@@H](O)[C@@H](O)C1.Cc1cc(N2CC[C@@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCC1.Cc1cc(N2CC[C@H](Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CCCC1.
What is the InChIKey of (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is UKHOUTISKDUOCC-RBKLSOEZSA-N. The full InChI is InChI=1S/C28H36N2O4.C27H34N2O5.C27H32N2O3.2C26H32N2O3.C25H30N2O3.C25H32N2O3/c1-3-20-18-23(8-11-26(20)33-17-16-29-14-12-25(19-29)32-2)30-15-13-27(28(30)31)34-24-9-6-22(7-10-24)21-4-5-21;1-2-18-15-21(7-10-25(18)33-14-13-28-16-23(30)24(31)17-28)29-12-11-26(27(29)32)34-22-8-5-20(6-9-22)19-3-4-19;1-2-20-19-23(9-12-25(20)31-18-17-28-14-3-4-15-28)29-16-13-26(27(29)30)32-24-10-7-22(8-11-24)21-5-6-21;2*1-19-18-22(8-11-24(19)30-17-16-27-13-2-3-14-27)28-15-12-25(26(28)29)31-23-9-6-21(7-10-23)20-4-5-20;1-18-17-21(7-10-23(18)29-16-15-26-12-2-13-26)27-14-11-24(25(27)28)30-22-8-5-20(6-9-22)19-3-4-19;1-4-18-17-21(9-12-23(18)29-16-15-26(2)3)27-14-13-24(25(27)28)30-22-10-7-20(8-11-22)19-5-6-19/h6-11,18,21,25,27H,3-5,12-17,19H2,1-2H3;5-10,15,19,23-24,26,30-31H,2-4,11-14,16-17H2,1H3;3-4,7-12,19,21,26H,2,5-6,13-18H2,1H3;2*6-11,18,20,25H,2-5,12-17H2,1H3;5-10,17,19,24H,2-4,11-16H2,1H3;7-12,17,19,24H,4-6,13-16H2,1-3H3/t25-,27+;23-,24+,26-;26-;2*25-;2*24-/m1001000/s1.
What are the key properties of (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one?
(3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 3019.92 g/mol, XLogP of 29.15, 61 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-[2-(azetidin-1-yl)ethoxy]-3-methylphenyl]-3-(4-cyclopropylphenoxy)pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(2,5-dihydropyrrol-1-yl)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[4-[2-(dimethylamino)ethoxy]-3-ethylphenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-ethyl-4-[2-[(3R)-3-methoxypyrrolidin-1-yl]ethoxy]phenyl]pyrrolidin-2-one;(3R)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one;(3S)-3-(4-cyclopropylphenoxy)-1-[3-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 161115857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).