[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone

C133H215F3N12O16 — CID 167646076

IUPAC[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C)(C)C1.CCOC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C)(C)C1.COc1cccc2[nH]c(C(=O)N3CC(C(C)C)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC)CC3(C)C)cc12
InChIInChI=1S/C20H28N2O3.C19H26N2O2.C18H24N2O3.C18H24N2O2.C17H19F3N2O3.C17H22N2O3.12C2H6/c1-19(2,3)25-13-11-20(4,5)22(12-13)18(23)16-10-14-15(21-16)8-7-9-17(14)24-6;1-12(2)13-10-19(3,4)21(11-13)18(22)16-9-14-15(20-16)7-6-8-17(14)23-5;1-5-23-12-10-18(2,3)20(11-12)17(21)15-9-13-14(19-15)7-6-8-16(13)22-4;1-5-12-10-18(2,3)20(11-12)17(21)15-9-13-14(19-15)7-6-8-16(13)22-4;1-16(2)8-10(25-17(18,19)20)9-22(16)15(23)13-7-11-12(21-13)5-4-6-14(11)24-3;1-17(2)9-11(21-3)10-19(17)16(20)14-8-12-13(18-14)6-5-7-15(12)22-4;12*1-2/h7-10,13,21H,11-12H2,1-6H3;6-9,12-13,20H,10-11H2,1-5H3;6-9,12,19H,5,10-11H2,1-4H3;6-9,12,19H,5,10-11H2,1-4H3;4-7,10,21H,8-9H2,1-3H3;5-8,11,18H,9-10H2,1-4H3;12*1-2H3
InChIKeyPWUWKXYNHDHTAP-UHFFFAOYSA-N
MW2295.24 g/mol
LogP33.93
Rot. Bonds19

About [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone

[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone (PubChem CID 167646076) has the molecular formula C133H215F3N12O16 and a molecular weight of 2295.24 g/mol. Its IUPAC name is [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
PubChem CID167646076
Molecular FormulaC133H215F3N12O16
Molecular Weight2295.24 g/mol
Exact Mass2293.63
IUPAC Name[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C)(C)C1.CCOC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C)(C)C1.COc1cccc2[nH]c(C(=O)N3CC(C(C)C)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC)CC3(C)C)cc12
InChIInChI=1S/C20H28N2O3.C19H26N2O2.C18H24N2O3.C18H24N2O2.C17H19F3N2O3.C17H22N2O3.12C2H6/c1-19(2,3)25-13-11-20(4,5)22(12-13)18(23)16-10-14-15(21-16)8-7-9-17(14)24-6;1-12(2)13-10-19(3,4)21(11-13)18(22)16-9-14-15(20-16)7-6-8-17(14)23-5;1-5-23-12-10-18(2,3)20(11-12)17(21)15-9-13-14(19-15)7-6-8-16(13)22-4;1-5-12-10-18(2,3)20(11-12)17(21)15-9-13-14(19-15)7-6-8-16(13)22-4;1-16(2)8-10(25-17(18,19)20)9-22(16)15(23)13-7-11-12(21-13)5-4-6-14(11)24-3;1-17(2)9-11(21-3)10-19(17)16(20)14-8-12-13(18-14)6-5-7-15(12)22-4;12*1-2/h7-10,13,21H,11-12H2,1-6H3;6-9,12-13,20H,10-11H2,1-5H3;6-9,12,19H,5,10-11H2,1-4H3;6-9,12,19H,5,10-11H2,1-4H3;4-7,10,21H,8-9H2,1-3H3;5-8,11,18H,9-10H2,1-4H3;12*1-2H3
InChIKeyPWUWKXYNHDHTAP-UHFFFAOYSA-N
XLogP33.93
TPSA308.90 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002295.24
LogP ≤ 533.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone (CID 167646076) is [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C)(C)C1.CCOC1CN(C(=O)c2cc3c(OC)cccc3[nH]2)C(C)(C)C1.COc1cccc2[nH]c(C(=O)N3CC(C(C)C)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(C)(C)C)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC(F)(F)F)CC3(C)C)cc12.COc1cccc2[nH]c(C(=O)N3CC(OC)CC3(C)C)cc12.
What is the InChIKey of [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone?
The InChIKey is PWUWKXYNHDHTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3.C19H26N2O2.C18H24N2O3.C18H24N2O2.C17H19F3N2O3.C17H22N2O3.12C2H6/c1-19(2,3)25-13-11-20(4,5)22(12-13)18(23)16-10-14-15(21-16)8-7-9-17(14)24-6;1-12(2)13-10-19(3,4)21(11-13)18(22)16-9-14-15(20-16)7-6-8-17(14)23-5;1-5-23-12-10-18(2,3)20(11-12)17(21)15-9-13-14(19-15)7-6-8-16(13)22-4;1-5-12-10-18(2,3)20(11-12)17(21)15-9-13-14(19-15)7-6-8-16(13)22-4;1-16(2)8-10(25-17(18,19)20)9-22(16)15(23)13-7-11-12(21-13)5-4-6-14(11)24-3;1-17(2)9-11(21-3)10-19(17)16(20)14-8-12-13(18-14)6-5-7-15(12)22-4;12*1-2/h7-10,13,21H,11-12H2,1-6H3;6-9,12-13,20H,10-11H2,1-5H3;6-9,12,19H,5,10-11H2,1-4H3;6-9,12,19H,5,10-11H2,1-4H3;4-7,10,21H,8-9H2,1-3H3;5-8,11,18H,9-10H2,1-4H3;12*1-2H3.
What are the key properties of [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone?
[2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone has a molecular weight of 2295.24 g/mol, XLogP of 33.93, 19 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;(2,2-dimethyl-4-propan-2-ylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;[2,2-dimethyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone;ethane;(4-ethoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-ethyl-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone;(4-methoxy-2,2-dimethylpyrrolidin-1-yl)-(4-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 167646076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).