N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)

C112H146F9N19O8 — CID 159012637

IUPACN-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)
SMILESCN1CCC2=C(CN=C2C(=O)N(C)CCOc2ccccc2C(C)(C)C)C1.Cc1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(OCCN(C)C(=O)c2nnc3n2CCCC3)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H31N3O2.2C19H27N3O.C18H21F3N4O2.2C17H20F3N3O/c1-22(2,3)18-8-6-7-9-19(18)27-13-12-25(5)21(26)20-17-10-11-24(4)15-16(17)14-23-20;2*1-14-13-15(2)21-18(20-14)22(6)11-12-23-17-10-8-7-9-16(17)19(3,4)5;1-12-9-13(18(19,20)21)11-14(10-12)27-8-7-24(2)17(26)16-23-22-15-5-3-4-6-25(15)16;2*1-11-7-14(17(18,19)20)10-15(8-11)24-6-5-23(4)16-21-12(2)9-13(3)22-16/h6-9H,10-15H2,1-5H3;2*7-10,13H,11-12H2,1-6H3;9-11H,3-8H2,1-2H3;2*7-10H,5-6H2,1-4H3
InChIKeyJSRMYXWOCYVBDU-UHFFFAOYSA-N
MW2057.51 g/mol
LogP21.68
Rot. Bonds30

About N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)

N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) (PubChem CID 159012637) has the molecular formula C112H146F9N19O8 and a molecular weight of 2057.51 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine).

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)
PubChem CID159012637
Molecular FormulaC112H146F9N19O8
Molecular Weight2057.51 g/mol
Exact Mass2056.15
IUPAC NameN-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)
SMILESCN1CCC2=C(CN=C2C(=O)N(C)CCOc2ccccc2C(C)(C)C)C1.Cc1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(OCCN(C)C(=O)c2nnc3n2CCCC3)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H31N3O2.2C19H27N3O.C18H21F3N4O2.2C17H20F3N3O/c1-22(2,3)18-8-6-7-9-19(18)27-13-12-25(5)21(26)20-17-10-11-24(4)15-16(17)14-23-20;2*1-14-13-15(2)21-18(20-14)22(6)11-12-23-17-10-8-7-9-16(17)19(3,4)5;1-12-9-13(18(19,20)21)11-14(10-12)27-8-7-24(2)17(26)16-23-22-15-5-3-4-6-25(15)16;2*1-11-7-14(17(18,19)20)10-15(8-11)24-6-5-23(4)16-21-12(2)9-13(3)22-16/h6-9H,10-15H2,1-5H3;2*7-10,13H,11-12H2,1-6H3;9-11H,3-8H2,1-2H3;2*7-10H,5-6H2,1-4H3
InChIKeyJSRMYXWOCYVBDU-UHFFFAOYSA-N
XLogP21.68
TPSA258.39 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002057.51
LogP ≤ 521.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) with MolForge

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Related Compounds

N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine;methyl 2-[2-(2-tert-butylphenoxy)ethyl-methylamino]-6-methylpyrimidine-4-carboxylate;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)
CID 159933860

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)?
The IUPAC name of N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) (CID 159012637) is N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine).
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) is CN1CCC2=C(CN=C2C(=O)N(C)CCOc2ccccc2C(C)(C)C)C1.Cc1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(C)nc(N(C)CCOc2ccccc2C(C)(C)C)n1.Cc1cc(OCCN(C)C(=O)c2nnc3n2CCCC3)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1.Cc1cc(OCCN(C)c2nc(C)cc(C)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)?
The InChIKey is JSRMYXWOCYVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.2C19H27N3O.C18H21F3N4O2.2C17H20F3N3O/c1-22(2,3)18-8-6-7-9-19(18)27-13-12-25(5)21(26)20-17-10-11-24(4)15-16(17)14-23-20;2*1-14-13-15(2)21-18(20-14)22(6)11-12-23-17-10-8-7-9-16(17)19(3,4)5;1-12-9-13(18(19,20)21)11-14(10-12)27-8-7-24(2)17(26)16-23-22-15-5-3-4-6-25(15)16;2*1-11-7-14(17(18,19)20)10-15(8-11)24-6-5-23(4)16-21-12(2)9-13(3)22-16/h6-9H,10-15H2,1-5H3;2*7-10,13H,11-12H2,1-6H3;9-11H,3-8H2,1-2H3;2*7-10H,5-6H2,1-4H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine)?
N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) has a molecular weight of 2057.51 g/mol, XLogP of 21.68, 30 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)ethyl]-N,5-dimethyl-3,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-1-carboxamide;bis(N-[2-(2-tert-butylphenoxy)ethyl]-N,4,6-trimethylpyrimidin-2-amine);N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide;bis(N,4,6-trimethyl-N-[2-[3-methyl-5-(trifluoromethyl)phenoxy]ethyl]pyrimidin-2-amine) is sourced from PubChem (CID 159012637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).