2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide

C114H157Cl2F15N12O8 — CID 157375721

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)CCN1CCC2(CC1)CC2N(CC1CC1)C(=O)Cc1ccc(Cl)cc1Cl.CC(C)(C)CCN1CCC2(CC1)CC2NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C(=O)NC2CC23CCN(CC(=O)NCC(C)C)CC3)cc(C(F)(F)F)c1.Cc1cc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc(C(F)(F)F)c1.Cc1cc(CC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)cc(C(F)(F)F)c1
InChIInChI=1S/C25H36Cl2N2O.C23H30F6N2O.C23H31F3N2O2.C22H30F3N3O2.C21H30F3N3O2/c1-24(2,3)8-11-28-12-9-25(10-13-28)16-22(25)29(17-18-4-5-18)23(30)14-19-6-7-20(26)15-21(19)27;1-20(2,3)4-7-31-8-5-21(6-9-31)14-18(21)30-19(32)12-15-10-16(22(24,25)26)13-17(11-15)23(27,28)29;1-15-9-16(11-17(10-15)23(24,25)26)12-19(29)18-13-22(18)5-7-28(8-6-22)14-20(30)27-21(2,3)4;1-14(2)12-26-19(29)13-28-6-4-21(5-7-28)11-18(21)27-20(30)16-8-15(3)9-17(10-16)22(23,24)25;1-14-9-16(11-17(10-14)21(22,23)24)19(29)25-12-15-5-7-27(8-6-15)13-18(28)26-20(2,3)4/h6-7,15,18,22H,4-5,8-14,16-17H2,1-3H3;10-11,13,18H,4-9,12,14H2,1-3H3,(H,30,32);9-11,18H,5-8,12-14H2,1-4H3,(H,27,30);8-10,14,18H,4-7,11-13H2,1-3H3,(H,26,29)(H,27,30);9-11,15H,5-8,12-13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyBKHPFTARNQVRPA-UHFFFAOYSA-N
MW2179.46 g/mol
LogP22.62
Rot. Bonds28

About 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide

2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide (PubChem CID 157375721) has the molecular formula C114H157Cl2F15N12O8 and a molecular weight of 2179.46 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide
PubChem CID157375721
Molecular FormulaC114H157Cl2F15N12O8
Molecular Weight2179.46 g/mol
Exact Mass2177.14
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide
SMILESCC(C)(C)CCN1CCC2(CC1)CC2N(CC1CC1)C(=O)Cc1ccc(Cl)cc1Cl.CC(C)(C)CCN1CCC2(CC1)CC2NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C(=O)NC2CC23CCN(CC(=O)NCC(C)C)CC3)cc(C(F)(F)F)c1.Cc1cc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc(C(F)(F)F)c1.Cc1cc(CC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)cc(C(F)(F)F)c1
InChIInChI=1S/C25H36Cl2N2O.C23H30F6N2O.C23H31F3N2O2.C22H30F3N3O2.C21H30F3N3O2/c1-24(2,3)8-11-28-12-9-25(10-13-28)16-22(25)29(17-18-4-5-18)23(30)14-19-6-7-20(26)15-21(19)27;1-20(2,3)4-7-31-8-5-21(6-9-31)14-18(21)30-19(32)12-15-10-16(22(24,25)26)13-17(11-15)23(27,28)29;1-15-9-16(11-17(10-15)23(24,25)26)12-19(29)18-13-22(18)5-7-28(8-6-22)14-20(30)27-21(2,3)4;1-14(2)12-26-19(29)13-28-6-4-21(5-7-28)11-18(21)27-20(30)16-8-15(3)9-17(10-16)22(23,24)25;1-14-9-16(11-17(10-14)21(22,23)24)19(29)25-12-15-5-7-27(8-6-15)13-18(28)26-20(2,3)4/h6-7,15,18,22H,4-5,8-14,16-17H2,1-3H3;10-11,13,18H,4-9,12,14H2,1-3H3,(H,30,32);9-11,18H,5-8,12-14H2,1-4H3,(H,27,30);8-10,14,18H,4-7,11-13H2,1-3H3,(H,26,29)(H,27,30);9-11,15H,5-8,12-13H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyBKHPFTARNQVRPA-UHFFFAOYSA-N
XLogP22.62
TPSA228.18 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.46
LogP ≤ 522.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide (CID 157375721) is 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide is CC(C)(C)CCN1CCC2(CC1)CC2N(CC1CC1)C(=O)Cc1ccc(Cl)cc1Cl.CC(C)(C)CCN1CCC2(CC1)CC2NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cc1cc(C(=O)NC2CC23CCN(CC(=O)NCC(C)C)CC3)cc(C(F)(F)F)c1.Cc1cc(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc(C(F)(F)F)c1.Cc1cc(CC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide?
The InChIKey is BKHPFTARNQVRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36Cl2N2O.C23H30F6N2O.C23H31F3N2O2.C22H30F3N3O2.C21H30F3N3O2/c1-24(2,3)8-11-28-12-9-25(10-13-28)16-22(25)29(17-18-4-5-18)23(30)14-19-6-7-20(26)15-21(19)27;1-20(2,3)4-7-31-8-5-21(6-9-31)14-18(21)30-19(32)12-15-10-16(22(24,25)26)13-17(11-15)23(27,28)29;1-15-9-16(11-17(10-15)23(24,25)26)12-19(29)18-13-22(18)5-7-28(8-6-22)14-20(30)27-21(2,3)4;1-14(2)12-26-19(29)13-28-6-4-21(5-7-28)11-18(21)27-20(30)16-8-15(3)9-17(10-16)22(23,24)25;1-14-9-16(11-17(10-14)21(22,23)24)19(29)25-12-15-5-7-27(8-6-15)13-18(28)26-20(2,3)4/h6-7,15,18,22H,4-5,8-14,16-17H2,1-3H3;10-11,13,18H,4-9,12,14H2,1-3H3,(H,30,32);9-11,18H,5-8,12-14H2,1-4H3,(H,27,30);8-10,14,18H,4-7,11-13H2,1-3H3,(H,26,29)(H,27,30);9-11,15H,5-8,12-13H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide?
2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide has a molecular weight of 2179.46 g/mol, XLogP of 22.62, 28 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-methyl-5-(trifluoromethyl)benzamide;N-tert-butyl-2-[2-[2-[3-methyl-5-(trifluoromethyl)phenyl]acetyl]-6-azaspiro[2.5]octan-6-yl]acetamide;N-(cyclopropylmethyl)-2-(2,4-dichlorophenyl)-N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]acetamide;3-methyl-N-[6-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 157375721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).