1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid

C229H298F3N25O27 — CID 158930329

IUPAC1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid
SMILESCCC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)OC(C)(C)C)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(N)=O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccccc3)C2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C31H43N3O3.C31H37N3O2.C30H41N3O4.C28H37N3O3.C28H37N3O2.C27H35N3O4.C26H34N4O3.C26H33N3O4.C2HF3O2/c1-32(20-21-36-2)31(27-10-5-4-6-11-27)18-16-30(17-19-31)24-33(22-26-12-14-28(37-3)15-13-26)29(35)34(30)23-25-8-7-9-25;1-32(2)31(27-12-8-5-9-13-27)20-18-30(19-21-31)24-33(22-26-14-16-28(36-3)17-15-26)29(35)34(30)23-25-10-6-4-7-11-25;1-28(2,3)37-26(34)21-33-27(35)32(20-23-12-14-25(36-6)15-13-23)22-29(33)16-18-30(19-17-29,31(4)5)24-10-8-7-9-11-24;1-5-24(32)20-31-26(33)30(19-22-11-13-25(34-4)14-12-22)21-27(31)15-17-28(18-16-27,29(2)3)23-9-7-6-8-10-23;1-29-28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-30(19-23-11-13-25(33-2)14-12-23)26(32)31(27)20-22-7-6-8-22;1-28(2)27(22-8-6-5-7-9-22)16-14-26(15-17-27)20-29(25(32)30(26)19-24(31)34-4)18-21-10-12-23(33-3)13-11-21;1-28(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-29(24(32)30(25)18-23(27)31)17-20-9-11-22(33-3)12-10-20;1-27(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-28(24(32)29(25)18-23(30)31)17-20-9-11-22(33-3)12-10-20;3-2(4,5)1(6)7/h4-6,10-15,25H,7-9,16-24H2,1-3H3;4-17H,18-24H2,1-3H3;7-15H,16-22H2,1-6H3;6-14H,5,15-21H2,1-4H3;3-5,9-14,22,29H,6-8,15-21H2,1-2H3;5-13H,14-20H2,1-4H3;4-12H,13-19H2,1-3H3,(H2,27,31);4-12H,13-19H2,1-3H3,(H,30,31);(H,6,7)
InChIKeyVBUYLVNJXFWVFC-UHFFFAOYSA-N
MW3890.04 g/mol
LogP37.79
Rot. Bonds60

About 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid

1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid (PubChem CID 158930329) has the molecular formula C229H298F3N25O27 and a molecular weight of 3890.04 g/mol. Its IUPAC name is 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid
PubChem CID158930329
Molecular FormulaC229H298F3N25O27
Molecular Weight3890.04 g/mol
Exact Mass3887.27
IUPAC Name1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid
SMILESCCC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)OC(C)(C)C)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(N)=O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccccc3)C2=O)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C31H43N3O3.C31H37N3O2.C30H41N3O4.C28H37N3O3.C28H37N3O2.C27H35N3O4.C26H34N4O3.C26H33N3O4.C2HF3O2/c1-32(20-21-36-2)31(27-10-5-4-6-11-27)18-16-30(17-19-31)24-33(22-26-12-14-28(37-3)15-13-26)29(35)34(30)23-25-8-7-9-25;1-32(2)31(27-12-8-5-9-13-27)20-18-30(19-21-31)24-33(22-26-14-16-28(36-3)17-15-26)29(35)34(30)23-25-10-6-4-7-11-25;1-28(2,3)37-26(34)21-33-27(35)32(20-23-12-14-25(36-6)15-13-23)22-29(33)16-18-30(19-17-29,31(4)5)24-10-8-7-9-11-24;1-5-24(32)20-31-26(33)30(19-22-11-13-25(34-4)14-12-22)21-27(31)15-17-28(18-16-27,29(2)3)23-9-7-6-8-10-23;1-29-28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-30(19-23-11-13-25(33-2)14-12-23)26(32)31(27)20-22-7-6-8-22;1-28(2)27(22-8-6-5-7-9-22)16-14-26(15-17-27)20-29(25(32)30(26)19-24(31)34-4)18-21-10-12-23(33-3)13-11-21;1-28(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-29(24(32)30(25)18-23(27)31)17-20-9-11-22(33-3)12-10-20;1-27(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-28(24(32)29(25)18-23(30)31)17-20-9-11-22(33-3)12-10-20;3-2(4,5)1(6)7/h4-6,10-15,25H,7-9,16-24H2,1-3H3;4-17H,18-24H2,1-3H3;7-15H,16-22H2,1-6H3;6-14H,5,15-21H2,1-4H3;3-5,9-14,22,29H,6-8,15-21H2,1-2H3;5-13H,14-20H2,1-4H3;4-12H,13-19H2,1-3H3,(H2,27,31);4-12H,13-19H2,1-3H3,(H,30,31);(H,6,7)
InChIKeyVBUYLVNJXFWVFC-UHFFFAOYSA-N
XLogP37.79
TPSA493.54 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds60
Heavy Atoms284
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003890.04
LogP ≤ 537.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid (CID 158930329) is 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid is CCC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CNC1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COC(=O)CN1C(=O)N(Cc2ccc(OC)cc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN(C)C1(c2ccccc2)CCC2(CC1)CN(Cc1ccc(OC)cc1)C(=O)N2CC1CCC1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(=O)OC(C)(C)C)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC(N)=O)C2=O)cc1.COc1ccc(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(Cc3ccccc3)C2=O)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid?
The InChIKey is VBUYLVNJXFWVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O3.C31H37N3O2.C30H41N3O4.C28H37N3O3.C28H37N3O2.C27H35N3O4.C26H34N4O3.C26H33N3O4.C2HF3O2/c1-32(20-21-36-2)31(27-10-5-4-6-11-27)18-16-30(17-19-31)24-33(22-26-12-14-28(37-3)15-13-26)29(35)34(30)23-25-8-7-9-25;1-32(2)31(27-12-8-5-9-13-27)20-18-30(19-21-31)24-33(22-26-14-16-28(36-3)17-15-26)29(35)34(30)23-25-10-6-4-7-11-25;1-28(2,3)37-26(34)21-33-27(35)32(20-23-12-14-25(36-6)15-13-23)22-29(33)16-18-30(19-17-29,31(4)5)24-10-8-7-9-11-24;1-5-24(32)20-31-26(33)30(19-22-11-13-25(34-4)14-12-22)21-27(31)15-17-28(18-16-27,29(2)3)23-9-7-6-8-10-23;1-29-28(24-9-4-3-5-10-24)17-15-27(16-18-28)21-30(19-23-11-13-25(33-2)14-12-23)26(32)31(27)20-22-7-6-8-22;1-28(2)27(22-8-6-5-7-9-22)16-14-26(15-17-27)20-29(25(32)30(26)19-24(31)34-4)18-21-10-12-23(33-3)13-11-21;1-28(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-29(24(32)30(25)18-23(27)31)17-20-9-11-22(33-3)12-10-20;1-27(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-28(24(32)29(25)18-23(30)31)17-20-9-11-22(33-3)12-10-20;3-2(4,5)1(6)7/h4-6,10-15,25H,7-9,16-24H2,1-3H3;4-17H,18-24H2,1-3H3;7-15H,16-22H2,1-6H3;6-14H,5,15-21H2,1-4H3;3-5,9-14,22,29H,6-8,15-21H2,1-2H3;5-13H,14-20H2,1-4H3;4-12H,13-19H2,1-3H3,(H2,27,31);4-12H,13-19H2,1-3H3,(H,30,31);(H,6,7).
What are the key properties of 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid?
1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid has a molecular weight of 3890.04 g/mol, XLogP of 37.79, 60 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;tert-butyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;1-(cyclobutylmethyl)-8-[2-methoxyethyl(methyl)amino]-3-[(4-methoxyphenyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-3-[(4-methoxyphenyl)methyl]-8-(methylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-1-(2-oxobutyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetamide;2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetic acid;methyl 2-[8-(dimethylamino)-3-[(4-methoxyphenyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158930329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).