bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine

C273H413F6N19O34 — CID 157477211

IUPACbis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
SMILESCC(C)CN1CCC(OC2CC(NC(C)C)C2)CC1.CC(C)NC1CC(OC2CCN(CC(=O)C(C)C)CC2)C1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1.CC(C)NC1CC(Oc2cc(F)cc(C(C)C)c2)C1.CC(C)NC1CC(Oc2cc(F)cc(OCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2cc(F)cc(OCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2ccc3cc(C(=O)C(C)C)oc3c2)C1.CC(C)NC1CC(Oc2ccc3oc(C(=O)C(C)C)cc3c2)C1.CC(C)NC1CC(Oc2cccc(C(C)C)c2)C1.CC(C)NCCOc1ccc2oc(C(=O)C(C)C)cc2c1.CC(C)NC[C@@H](C)Oc1cc(F)cc(C(C)C)c1.CC(C)NC[C@@H](C)Oc1cc(F)cc(CCC(=O)C(C)C)c1.CC(C)NC[C@@H](C)Oc1ccc2cc(C(=O)C(C)C)oc2c1.CC(C)NC[C@@H](C)Oc1ccc2oc(C(=O)C(C)C)cc2c1.CC(C)NC[C@H](C)Oc1cc(F)cc(C(C)C)c1.CC(C)NC[C@H](C)Oc1ccc2oc(C(=O)C(C)C)cc2c1
InChIInChI=1S/2C19H25NO3.2C18H26FNO3.C18H28FNO2.3C18H25NO3.C17H32N2O2.C17H23NO3.C16H24FNO.C16H32N2O.C16H25NO.2C15H24FNO.C15H24N2O/c1-11(2)19(21)18-8-13-7-15(5-6-17(13)23-18)22-16-9-14(10-16)20-12(3)4;1-11(2)19(21)18-7-13-5-6-15(10-17(13)23-18)22-16-8-14(9-16)20-12(3)4;2*1-11(2)18(21)10-22-15-5-13(19)6-16(9-15)23-17-7-14(8-17)20-12(3)4;1-12(2)18(21)7-6-15-8-16(19)10-17(9-15)22-14(5)11-20-13(3)4;2*1-11(2)18(20)17-9-14-8-15(6-7-16(14)22-17)21-13(5)10-19-12(3)4;1-11(2)18(20)17-8-14-6-7-15(9-16(14)22-17)21-13(5)10-19-12(3)4;1-12(2)17(20)11-19-7-5-15(6-8-19)21-16-9-14(10-16)18-13(3)4;1-11(2)17(19)16-10-13-9-14(5-6-15(13)21-16)20-8-7-18-12(3)4;1-10(2)12-5-13(17)7-15(6-12)19-16-8-14(9-16)18-11(3)4;1-12(2)11-18-7-5-15(6-8-18)19-16-9-14(10-16)17-13(3)4;1-11(2)13-6-5-7-15(8-13)18-16-9-14(10-16)17-12(3)4;2*1-10(2)13-6-14(16)8-15(7-13)18-12(5)9-17-11(3)4;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h5-8,11-12,14,16,20H,9-10H2,1-4H3;5-7,10-12,14,16,20H,8-9H2,1-4H3;2*5-6,9,11-12,14,17,20H,7-8,10H2,1-4H3;8-10,12-14,20H,6-7,11H2,1-5H3;3*6-9,11-13,19H,10H2,1-5H3;12-16,18H,5-11H2,1-4H3;5-6,9-12,18H,7-8H2,1-4H3;5-7,10-11,14,16,18H,8-9H2,1-4H3;12-17H,5-11H2,1-4H3;5-8,11-12,14,16-17H,9-10H2,1-4H3;2*6-8,10-12,17H,9H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3/t;;;;14-;3*13-;;;;;;2*12-;/m....1101.....10./s1
InChIKeyBVSULAGTPNKAFO-SSXWHQFISA-N
MW4619.39 g/mol
LogP57.53
Rot. Bonds105

About bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine

bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine (PubChem CID 157477211) has the molecular formula C273H413F6N19O34 and a molecular weight of 4619.39 g/mol. Its IUPAC name is bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Namebis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
PubChem CID157477211
Molecular FormulaC273H413F6N19O34
Molecular Weight4619.39 g/mol
Exact Mass4616.11
IUPAC Namebis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
SMILESCC(C)CN1CCC(OC2CC(NC(C)C)C2)CC1.CC(C)NC1CC(OC2CCN(CC(=O)C(C)C)CC2)C1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1.CC(C)NC1CC(Oc2cc(F)cc(C(C)C)c2)C1.CC(C)NC1CC(Oc2cc(F)cc(OCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2cc(F)cc(OCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2ccc3cc(C(=O)C(C)C)oc3c2)C1.CC(C)NC1CC(Oc2ccc3oc(C(=O)C(C)C)cc3c2)C1.CC(C)NC1CC(Oc2cccc(C(C)C)c2)C1.CC(C)NCCOc1ccc2oc(C(=O)C(C)C)cc2c1.CC(C)NC[C@@H](C)Oc1cc(F)cc(C(C)C)c1.CC(C)NC[C@@H](C)Oc1cc(F)cc(CCC(=O)C(C)C)c1.CC(C)NC[C@@H](C)Oc1ccc2cc(C(=O)C(C)C)oc2c1.CC(C)NC[C@@H](C)Oc1ccc2oc(C(=O)C(C)C)cc2c1.CC(C)NC[C@H](C)Oc1cc(F)cc(C(C)C)c1.CC(C)NC[C@H](C)Oc1ccc2oc(C(=O)C(C)C)cc2c1
InChIInChI=1S/2C19H25NO3.2C18H26FNO3.C18H28FNO2.3C18H25NO3.C17H32N2O2.C17H23NO3.C16H24FNO.C16H32N2O.C16H25NO.2C15H24FNO.C15H24N2O/c1-11(2)19(21)18-8-13-7-15(5-6-17(13)23-18)22-16-9-14(10-16)20-12(3)4;1-11(2)19(21)18-7-13-5-6-15(10-17(13)23-18)22-16-8-14(9-16)20-12(3)4;2*1-11(2)18(21)10-22-15-5-13(19)6-16(9-15)23-17-7-14(8-17)20-12(3)4;1-12(2)18(21)7-6-15-8-16(19)10-17(9-15)22-14(5)11-20-13(3)4;2*1-11(2)18(20)17-9-14-8-15(6-7-16(14)22-17)21-13(5)10-19-12(3)4;1-11(2)18(20)17-8-14-6-7-15(9-16(14)22-17)21-13(5)10-19-12(3)4;1-12(2)17(20)11-19-7-5-15(6-8-19)21-16-9-14(10-16)18-13(3)4;1-11(2)17(19)16-10-13-9-14(5-6-15(13)21-16)20-8-7-18-12(3)4;1-10(2)12-5-13(17)7-15(6-12)19-16-8-14(9-16)18-11(3)4;1-12(2)11-18-7-5-15(6-8-18)19-16-9-14(10-16)17-13(3)4;1-11(2)13-6-5-7-15(8-13)18-16-9-14(10-16)17-12(3)4;2*1-10(2)13-6-14(16)8-15(7-13)18-12(5)9-17-11(3)4;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h5-8,11-12,14,16,20H,9-10H2,1-4H3;5-7,10-12,14,16,20H,8-9H2,1-4H3;2*5-6,9,11-12,14,17,20H,7-8,10H2,1-4H3;8-10,12-14,20H,6-7,11H2,1-5H3;3*6-9,11-13,19H,10H2,1-5H3;12-16,18H,5-11H2,1-4H3;5-6,9-12,18H,7-8H2,1-4H3;5-7,10-11,14,16,18H,8-9H2,1-4H3;12-17H,5-11H2,1-4H3;5-8,11-12,14,16-17H,9-10H2,1-4H3;2*6-8,10-12,17H,9H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3/t;;;;14-;3*13-;;;;;;2*12-;/m....1101.....10./s1
InChIKeyBVSULAGTPNKAFO-SSXWHQFISA-N
XLogP57.53
TPSA627.53 Ų
H-Bond Donors16
H-Bond Acceptors53
Rotatable Bonds105
Heavy Atoms332
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004619.39
LogP ≤ 557.53
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1053

Analyze bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine?
The IUPAC name of bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine (CID 157477211) is bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine.
What is the SMILES notation for bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine?
The canonical SMILES for bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine is CC(C)CN1CCC(OC2CC(NC(C)C)C2)CC1.CC(C)NC1CC(OC2CCN(CC(=O)C(C)C)CC2)C1.CC(C)NC1CC(Oc2cc(C(C)C)ccn2)C1.CC(C)NC1CC(Oc2cc(F)cc(C(C)C)c2)C1.CC(C)NC1CC(Oc2cc(F)cc(OCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2cc(F)cc(OCC(=O)C(C)C)c2)C1.CC(C)NC1CC(Oc2ccc3cc(C(=O)C(C)C)oc3c2)C1.CC(C)NC1CC(Oc2ccc3oc(C(=O)C(C)C)cc3c2)C1.CC(C)NC1CC(Oc2cccc(C(C)C)c2)C1.CC(C)NCCOc1ccc2oc(C(=O)C(C)C)cc2c1.CC(C)NC[C@@H](C)Oc1cc(F)cc(C(C)C)c1.CC(C)NC[C@@H](C)Oc1cc(F)cc(CCC(=O)C(C)C)c1.CC(C)NC[C@@H](C)Oc1ccc2cc(C(=O)C(C)C)oc2c1.CC(C)NC[C@@H](C)Oc1ccc2oc(C(=O)C(C)C)cc2c1.CC(C)NC[C@H](C)Oc1cc(F)cc(C(C)C)c1.CC(C)NC[C@H](C)Oc1ccc2oc(C(=O)C(C)C)cc2c1.
What is the InChIKey of bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine?
The InChIKey is BVSULAGTPNKAFO-SSXWHQFISA-N. The full InChI is InChI=1S/2C19H25NO3.2C18H26FNO3.C18H28FNO2.3C18H25NO3.C17H32N2O2.C17H23NO3.C16H24FNO.C16H32N2O.C16H25NO.2C15H24FNO.C15H24N2O/c1-11(2)19(21)18-8-13-7-15(5-6-17(13)23-18)22-16-9-14(10-16)20-12(3)4;1-11(2)19(21)18-7-13-5-6-15(10-17(13)23-18)22-16-8-14(9-16)20-12(3)4;2*1-11(2)18(21)10-22-15-5-13(19)6-16(9-15)23-17-7-14(8-17)20-12(3)4;1-12(2)18(21)7-6-15-8-16(19)10-17(9-15)22-14(5)11-20-13(3)4;2*1-11(2)18(20)17-9-14-8-15(6-7-16(14)22-17)21-13(5)10-19-12(3)4;1-11(2)18(20)17-8-14-6-7-15(9-16(14)22-17)21-13(5)10-19-12(3)4;1-12(2)17(20)11-19-7-5-15(6-8-19)21-16-9-14(10-16)18-13(3)4;1-11(2)17(19)16-10-13-9-14(5-6-15(13)21-16)20-8-7-18-12(3)4;1-10(2)12-5-13(17)7-15(6-12)19-16-8-14(9-16)18-11(3)4;1-12(2)11-18-7-5-15(6-8-18)19-16-9-14(10-16)17-13(3)4;1-11(2)13-6-5-7-15(8-13)18-16-9-14(10-16)17-12(3)4;2*1-10(2)13-6-14(16)8-15(7-13)18-12(5)9-17-11(3)4;1-10(2)12-5-6-16-15(7-12)18-14-8-13(9-14)17-11(3)4/h5-8,11-12,14,16,20H,9-10H2,1-4H3;5-7,10-12,14,16,20H,8-9H2,1-4H3;2*5-6,9,11-12,14,17,20H,7-8,10H2,1-4H3;8-10,12-14,20H,6-7,11H2,1-5H3;3*6-9,11-13,19H,10H2,1-5H3;12-16,18H,5-11H2,1-4H3;5-6,9-12,18H,7-8H2,1-4H3;5-7,10-11,14,16,18H,8-9H2,1-4H3;12-17H,5-11H2,1-4H3;5-8,11-12,14,16-17H,9-10H2,1-4H3;2*6-8,10-12,17H,9H2,1-5H3;5-7,10-11,13-14,17H,8-9H2,1-4H3/t;;;;14-;3*13-;;;;;;2*12-;/m....1101.....10./s1.
What are the key properties of bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine?
bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine has a molecular weight of 4619.39 g/mol, XLogP of 57.53, 105 rotatable bonds, 16 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[3-fluoro-5-[3-(propan-2-ylamino)cyclobutyl]oxyphenoxy]-3-methylbutan-2-one);1-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]-4-methylpentan-3-one;3-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylcyclobutan-1-amine;(2R)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;(2S)-2-(3-fluoro-5-propan-2-ylphenoxy)-N-propan-2-ylpropan-1-amine;2-methyl-1-[5-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[3-(propan-2-ylamino)cyclobutyl]oxy-1-benzofuran-2-yl]propan-1-one;3-methyl-1-[4-[3-(propan-2-ylamino)cyclobutyl]oxypiperidin-1-yl]butan-2-one;2-methyl-1-[5-[2-(propan-2-ylamino)ethoxy]-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2S)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;2-methyl-1-[6-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxy-1-benzofuran-2-yl]propan-1-one;3-[1-(2-methylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine;N-propan-2-yl-3-(3-propan-2-ylphenoxy)cyclobutan-1-amine;N-propan-2-yl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 157477211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).