N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C106H150ClF21N16O13S2 — CID 159551339

About N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 159551339) has the molecular formula C106H150ClF21N16O13S2 and a molecular weight of 2355.01 g/mol. Its IUPAC name is N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

• Compound Name: N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
• PubChem CID: 159551339
• Molecular Formula: C106H150ClF21N16O13S2
• Molecular Weight: 2355.01 g/mol
• Exact Mass: 2353.04
• IUPAC Name: N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CC1)CN(Cc1c(Cl)cccc1N1CCC3(CC1)CCN(S(C)(=O)=O)C3)C2)C(F)(F)F.CC(OC(=O)N1CCC2(CC1)CN(Cc1c(N)cccc1C(F)(F)F)C2)C(F)(F)F.CC(OC(=O)N1CCC2(CC1)CN(Cc1c(N)cccc1C(F)(F)F)C2)C(F)(F)F.CC(OC(=O)N1CCC2(CC1)CN(Cc1c(N3CCC4(CC3)CCN(S(C)(=O)=O)C4)cccc1C(F)(F)F)C2)C(F)(F)F.CCN(CC)C(C)=O.CCN(CC)C1CC1
• InChI: InChI=1S/C28H38F6N4O4S.C27H38ClF3N4O4S.2C19H23F6N3O2.C7H15N.C6H13NO/c1-20(27(29,30)31)42-24(39)37-13-8-26(9-14-37)17-35(18-26)16-21-22(28(32,33)34)4-3-5-23(21)36-11-6-25(7-12-36)10-15-38(19-25)43(2,40)41;1-20(27(29,30)31)39-24(36)34-13-8-26(9-14-34)17-32(18-26)16-21-22(28)4-3-5-23(21)33-11-6-25(7-12-33)10-15-35(19-25)40(2,37)38;2*1-12(18(20,21)22)30-16(29)28-7-5-17(6-8-28)10-27(11-17)9-13-14(19(23,24)25)3-2-4-15(13)26;1-3-8(4-2)7-5-6-7;1-4-7(5-2)6(3)8/h3-5,20H,6-19H2,1-2H3;3-5,20H,6-19H2,1-2H3;2*2-4,12H,5-11,26H2,1H3;7H,3-6H2,1-2H3;4-5H2,1-3H3
• InChIKey: MFKVDSNBOTWIMV-UHFFFAOYSA-N
• XLogP: 20.43
• TPSA: 287.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.01
LogP ≤ 5	20.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The IUPAC name of N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 159551339) is N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

What is the SMILES notation for N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The canonical SMILES for N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is CC(OC(=O)N1CCC2(CC1)CN(Cc1c(Cl)cccc1N1CCC3(CC1)CCN(S(C)(=O)=O)C3)C2)C(F)(F)F.CC(OC(=O)N1CCC2(CC1)CN(Cc1c(N)cccc1C(F)(F)F)C2)C(F)(F)F.CC(OC(=O)N1CCC2(CC1)CN(Cc1c(N)cccc1C(F)(F)F)C2)C(F)(F)F.CC(OC(=O)N1CCC2(CC1)CN(Cc1c(N3CCC4(CC3)CCN(S(C)(=O)=O)C4)cccc1C(F)(F)F)C2)C(F)(F)F.CCN(CC)C(C)=O.CCN(CC)C1CC1.

What is the InChIKey of N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

The InChIKey is MFKVDSNBOTWIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F6N4O4S.C27H38ClF3N4O4S.2C19H23F6N3O2.C7H15N.C6H13NO/c1-20(27(29,30)31)42-24(39)37-13-8-26(9-14-37)17-35(18-26)16-21-22(28(32,33)34)4-3-5-23(21)36-11-6-25(7-12-36)10-15-38(19-25)43(2,40)41;1-20(27(29,30)31)39-24(36)34-13-8-26(9-14-34)17-32(18-26)16-21-22(28)4-3-5-23(21)33-11-6-25(7-12-33)10-15-35(19-25)40(2,37)38;2*1-12(18(20,21)22)30-16(29)28-7-5-17(6-8-28)10-27(11-17)9-13-14(19(23,24)25)3-2-4-15(13)26;1-3-8(4-2)7-5-6-7;1-4-7(5-2)6(3)8/h3-5,20H,6-19H2,1-2H3;3-5,20H,6-19H2,1-2H3;2*2-4,12H,5-11,26H2,1H3;7H,3-6H2,1-2H3;4-5H2,1-3H3.

What are the key properties of N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?

N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 2355.01 g/mol, XLogP of 20.43, 21 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethylacetamide;N,N-diethylcyclopropanamine;bis(1,1,1-trifluoropropan-2-yl 2-[[2-amino-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate);1,1,1-trifluoropropan-2-yl 2-[[2-chloro-6-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;1,1,1-trifluoropropan-2-yl 2-[[2-(2-methylsulfonyl-2,8-diazaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 159551339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).