5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C65H83F9N8O6 — CID 159355245

IUPAC5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCC(=O)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.CNC(C)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.CON(C)C(=O)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C22H28F3N3O3.C22H30F3N3O.C21H25F3N2O2/c1-14-17(20(30)26-16-9-7-8-15(12-16)22(23,24)25)13-18(21(2,3)4)28(14)11-10-19(29)27(5)31-6;1-14(26-6)10-11-28-15(2)18(13-19(28)21(3,4)5)20(29)27-17-9-7-8-16(12-17)22(23,24)25;1-13(27)9-10-26-14(2)17(12-18(26)20(3,4)5)19(28)25-16-8-6-7-15(11-16)21(22,23)24/h7-9,12-13H,10-11H2,1-6H3,(H,26,30);7-9,12-14,26H,10-11H2,1-6H3,(H,27,29);6-8,11-12H,9-10H2,1-5H3,(H,25,28)
InChIKeyLHVNHKABIFZYDX-UHFFFAOYSA-N
MW1243.41 g/mol
LogP15.48
Rot. Bonds17

About 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 159355245) has the molecular formula C65H83F9N8O6 and a molecular weight of 1243.41 g/mol. Its IUPAC name is 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID159355245
Molecular FormulaC65H83F9N8O6
Molecular Weight1243.41 g/mol
Exact Mass1242.63
IUPAC Name5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCC(=O)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.CNC(C)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.CON(C)C(=O)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C
InChIInChI=1S/C22H28F3N3O3.C22H30F3N3O.C21H25F3N2O2/c1-14-17(20(30)26-16-9-7-8-15(12-16)22(23,24)25)13-18(21(2,3)4)28(14)11-10-19(29)27(5)31-6;1-14(26-6)10-11-28-15(2)18(13-19(28)21(3,4)5)20(29)27-17-9-7-8-16(12-17)22(23,24)25;1-13(27)9-10-26-14(2)17(12-18(26)20(3,4)5)19(28)25-16-8-6-7-15(11-16)21(22,23)24/h7-9,12-13H,10-11H2,1-6H3,(H,26,30);7-9,12-14,26H,10-11H2,1-6H3,(H,27,29);6-8,11-12H,9-10H2,1-5H3,(H,25,28)
InChIKeyLHVNHKABIFZYDX-UHFFFAOYSA-N
XLogP15.48
TPSA160.73 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.41
LogP ≤ 515.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide with MolForge

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Related Compounds

1-[3-[[3-(dimethylamino)benzoyl]-methylamino]propyl]-2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 89946579
5-tert-butyl-2-methyl-1-[4-(methylamino)cyclohexyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 89944739
1-[3-[[4-(dimethylamino)benzoyl]-methylamino]propyl]-2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 89946609
1-(3-anilinopropyl)-2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 89946635
1-[3-[cyclohexanecarbonyl(methyl)amino]propyl]-2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 89946643
5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 89944125
1-(4-aminocyclohexyl)-5-tert-butyl-N-[3-(1,1-difluoroethyl)phenyl]-2-methylpyrrole-3-carboxamide
CID 89944396
5-tert-butyl-N-[3-(1,1-difluoroethyl)phenyl]-2-methyl-1-[4-(methylamino)cyclohexyl]pyrrole-3-carboxamide
CID 89944606
N-methyl-N-[3-[2-methyl-5-phenyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrrol-1-yl]propyl]-2,3-dihydropyridine-6-carboxamide
CID 123692016
5-[2-(tert-butylamino)-1,1-difluoro-2-oxoethyl]-N-[3-[2-[[2,2-difluoro-2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrrol-2-yl]acetyl]amino]propyl]-4-fluoro-5-methylphenyl]-1,2-dimethylpyrrole-3-carboxamide
CID 139302655
4-[2-[3-[bis[3-[[2-[5-[(3,4-difluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]amino]propyl]amino]propylamino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-1,3,5-trimethylpyrrole-2-carboxamide
CID 146512503
4-[2-[3-[bis[3-[[2-[5-[(3,4-difluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]amino]propyl]amino]propylamino]-2-oxoethyl]-N-(3,4-difluorophenyl)-1,3,5-trimethylpyrrole-2-carboxamide
CID 146874176

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 159355245) is 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is CC(=O)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.CNC(C)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.CON(C)C(=O)CCn1c(C(C)(C)C)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1C.
What is the InChIKey of 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is LHVNHKABIFZYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O3.C22H30F3N3O.C21H25F3N2O2/c1-14-17(20(30)26-16-9-7-8-15(12-16)22(23,24)25)13-18(21(2,3)4)28(14)11-10-19(29)27(5)31-6;1-14(26-6)10-11-28-15(2)18(13-19(28)21(3,4)5)20(29)27-17-9-7-8-16(12-17)22(23,24)25;1-13(27)9-10-26-14(2)17(12-18(26)20(3,4)5)19(28)25-16-8-6-7-15(11-16)21(22,23)24/h7-9,12-13H,10-11H2,1-6H3,(H,26,30);7-9,12-14,26H,10-11H2,1-6H3,(H,27,29);6-8,11-12H,9-10H2,1-5H3,(H,25,28).
What are the key properties of 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 1243.41 g/mol, XLogP of 15.48, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[3-[methoxy(methyl)amino]-3-oxopropyl]-2-methyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-[3-(methylamino)butyl]-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide;5-tert-butyl-2-methyl-1-(3-oxobutyl)-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 159355245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).