1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene

C363H550Cl2F5N13O9 — CID 159924610

IUPAC1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(CC(C)C)cc1.CC(C)C(c1ccccc1)c1ccccc1.CC(C)CC1CCCCC1.CC(C)CCc1ccccc1.CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(C)C)N(C)C(=O)CN(C)CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)CNC(C)C)Cc1cnc[nH]1.CC(C)Cc1c(F)c(F)c(F)c(F)c1F.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(N)c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1ccccc1N.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)[C@@H](C)c1ccccc1.CC(C)[C@H](C)c1ccccc1.CC(C)c1ccccc1.CCc1ccccc1CC(C)C.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1ccccc1CC(C)C
InChIInChI=1S/C44H63N7O7.2C16H18.C14H16.C14H22.C12H17NO.C12H15N.C12H18.9C11H16.2C10H13Cl.C10H9F5.2C10H15N.C10H14O.C10H20.C10H14.2C9H13N.C9H12.17CH4/c1-28(2)18-39(44(58)49-38(42(56)29(3)4)20-32-14-16-35(52)17-15-32)51(8)41(55)26-50(7)25-40(54)37(19-31-12-10-9-11-13-31)48-43(57)33(21-34-23-45-27-47-34)22-36(53)24-46-30(5)6;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-9(2)8-11-4-6-12(7-5-11)13-10(3)14;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-4-11-7-5-6-8-12(11)9-10(2)3;4*1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-9(2)8-11-7-5-4-6-10(11)3;2*1-9(2)10(3)11-7-5-4-6-8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)7-9-3-5-10(11)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;;;/h9-17,23,27-30,33,37-39,46,52H,18-22,24-26H2,1-8H3,(H,45,47)(H,48,57)(H,49,58);3-13,16H,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;6-9,11H,10H2,1-5H3;4-7,9H,8H2,1-3H3,(H,13,14);3-6,8-9,13H,7H2,1-2H3;5-8,10H,4,9H2,1-3H3;4*4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4H,3H2,1-2H3;3-5,7-8H,6,11H2,1-2H3;3-6,8H,7,11H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;17*1H4/t33-,37+,38+,39+;;;;;;;;;;;;;;2*10-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1.............10............................./s1
InChIKeyNYVPQFMSTDGKBF-MZHGPJBCSA-N
MW5406.37 g/mol
LogP102.38
Rot. Bonds83

About 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene

1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene (PubChem CID 159924610) has the molecular formula C363H550Cl2F5N13O9 and a molecular weight of 5406.37 g/mol. Its IUPAC name is 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
PubChem CID159924610
Molecular FormulaC363H550Cl2F5N13O9
Molecular Weight5406.37 g/mol
Exact Mass5401.23
IUPAC Name1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(CC(C)C)cc1.CC(C)C(c1ccccc1)c1ccccc1.CC(C)CC1CCCCC1.CC(C)CCc1ccccc1.CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(C)C)N(C)C(=O)CN(C)CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)CNC(C)C)Cc1cnc[nH]1.CC(C)Cc1c(F)c(F)c(F)c(F)c1F.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(N)c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1ccccc1N.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)[C@@H](C)c1ccccc1.CC(C)[C@H](C)c1ccccc1.CC(C)c1ccccc1.CCc1ccccc1CC(C)C.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1ccccc1CC(C)C
InChIInChI=1S/C44H63N7O7.2C16H18.C14H16.C14H22.C12H17NO.C12H15N.C12H18.9C11H16.2C10H13Cl.C10H9F5.2C10H15N.C10H14O.C10H20.C10H14.2C9H13N.C9H12.17CH4/c1-28(2)18-39(44(58)49-38(42(56)29(3)4)20-32-14-16-35(52)17-15-32)51(8)41(55)26-50(7)25-40(54)37(19-31-12-10-9-11-13-31)48-43(57)33(21-34-23-45-27-47-34)22-36(53)24-46-30(5)6;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-9(2)8-11-4-6-12(7-5-11)13-10(3)14;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-4-11-7-5-6-8-12(11)9-10(2)3;4*1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-9(2)8-11-7-5-4-6-10(11)3;2*1-9(2)10(3)11-7-5-4-6-8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)7-9-3-5-10(11)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;;;/h9-17,23,27-30,33,37-39,46,52H,18-22,24-26H2,1-8H3,(H,45,47)(H,48,57)(H,49,58);3-13,16H,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;6-9,11H,10H2,1-5H3;4-7,9H,8H2,1-3H3,(H,13,14);3-6,8-9,13H,7H2,1-2H3;5-8,10H,4,9H2,1-3H3;4*4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4H,3H2,1-2H3;3-5,7-8H,6,11H2,1-2H3;3-6,8H,7,11H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;17*1H4/t33-,37+,38+,39+;;;;;;;;;;;;;;2*10-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1.............10............................./s1
InChIKeyNYVPQFMSTDGKBF-MZHGPJBCSA-N
XLogP102.38
TPSA336.84 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds83
Heavy Atoms392
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005406.37
LogP ≤ 5102.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene?
The IUPAC name of 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene (CID 159924610) is 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(CC(C)C)cc1.CC(C)C(c1ccccc1)c1ccccc1.CC(C)CC1CCCCC1.CC(C)CCc1ccccc1.CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)C(C)C)N(C)C(=O)CN(C)CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)CNC(C)C)Cc1cnc[nH]1.CC(C)Cc1c(F)c(F)c(F)c(F)c1F.CC(C)Cc1c[nH]c2ccccc12.CC(C)Cc1ccc(-c2ccccc2)cc1.CC(C)Cc1ccc(C(C)(C)C)cc1.CC(C)Cc1ccc(O)cc1.CC(C)Cc1cccc(Cl)c1.CC(C)Cc1cccc(N)c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1Cl.CC(C)Cc1ccccc1N.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)[C@@H](C)c1ccccc1.CC(C)[C@H](C)c1ccccc1.CC(C)c1ccccc1.CCc1ccccc1CC(C)C.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1ccc(CC(C)C)cc1.Cc1cccc(CC(C)C)c1.Cc1ccccc1CC(C)C.
What is the InChIKey of 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene?
The InChIKey is NYVPQFMSTDGKBF-MZHGPJBCSA-N. The full InChI is InChI=1S/C44H63N7O7.2C16H18.C14H16.C14H22.C12H17NO.C12H15N.C12H18.9C11H16.2C10H13Cl.C10H9F5.2C10H15N.C10H14O.C10H20.C10H14.2C9H13N.C9H12.17CH4/c1-28(2)18-39(44(58)49-38(42(56)29(3)4)20-32-14-16-35(52)17-15-32)51(8)41(55)26-50(7)25-40(54)37(19-31-12-10-9-11-13-31)48-43(57)33(21-34-23-45-27-47-34)22-36(53)24-46-30(5)6;1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15;1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)10-12-6-8-13(9-7-12)14(3,4)5;1-9(2)8-11-4-6-12(7-5-11)13-10(3)14;1-9(2)7-10-8-13-12-6-4-3-5-11(10)12;1-4-11-7-5-6-8-12(11)9-10(2)3;4*1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-11-6-4-5-10(3)8-11;1-9(2)8-11-7-5-4-6-10(11)3;2*1-9(2)10(3)11-7-5-4-6-8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12;1-8(2)6-9-4-3-5-10(11)7-9;1-8(2)7-9-5-3-4-6-10(9)11;1-8(2)7-9-3-5-10(11)6-4-9;2*1-9(2)8-10-6-4-3-5-7-10;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;;;/h9-17,23,27-30,33,37-39,46,52H,18-22,24-26H2,1-8H3,(H,45,47)(H,48,57)(H,49,58);3-13,16H,1-2H3;3-11,13H,12H2,1-2H3;3-9,11H,10H2,1-2H3;6-9,11H,10H2,1-5H3;4-7,9H,8H2,1-3H3,(H,13,14);3-6,8-9,13H,7H2,1-2H3;5-8,10H,4,9H2,1-3H3;4*4-7,9H,8H2,1-3H3;4-6,8-9H,7H2,1-3H3;4-7,9H,8H2,1-3H3;2*4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;4H,3H2,1-2H3;3-5,7-8H,6,11H2,1-2H3;3-6,8H,7,11H2,1-2H3;3-6,8,11H,7H2,1-2H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;17*1H4/t33-,37+,38+,39+;;;;;;;;;;;;;;2*10-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m1.............10............................./s1.
What are the key properties of 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene?
1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene has a molecular weight of 5406.37 g/mol, XLogP of 102.38, 83 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(2-methylpropyl)benzene;1-chloro-2-(2-methylpropyl)benzene;1-chloro-3-(2-methylpropyl)benzene;cumene;1-ethyl-2-(2-methylpropyl)benzene;(2R)-N-[(2S)-4-[[2-[[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-4-methyl-3-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-2-oxoethyl]-methylamino]-3-oxo-1-phenylbutan-2-yl]-2-(1H-imidazol-5-ylmethyl)-4-oxo-5-(propan-2-ylamino)pentanamide;methane;[(2R)-3-methylbutan-2-yl]benzene;[(2S)-3-methylbutan-2-yl]benzene;3-methylbutylbenzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;tetrakis(1-methyl-4-(2-methylpropyl)benzene);(2-methyl-1-phenylpropyl)benzene;2-(2-methylpropyl)aniline;3-(2-methylpropyl)aniline;2-methylpropylbenzene;2-methylpropylcyclohexane;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;4-(2-methylpropyl)phenol;N-[4-(2-methylpropyl)phenyl]acetamide;1-(2-methylpropyl)-4-phenylbenzene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene is sourced from PubChem (CID 159924610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).