(2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide

C192H279N19O8S2 — CID 165102167

IUPAC(2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide
SMILESCC(C)(C)C1=NCC=C1.CC(C)(C)C1CCCN(C(=O)CCC2=CCc3ccccc32)C1.CC(C)(C)C1CCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1sccc1C(N)=O.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C.Cc1ccc(C[C@H](N)C(=O)C[C@H](C)C(=O)NC(C)(C)C)cc1.Cc1cccc(-c2cc(C(C)(C)C)[nH]n2)c1O
InChIInChI=1S/C21H29NO.C18H28N2O2.C15H24.C14H18N2O.C14H18N2.C12H14N2O.C11H14N2.C11H17N.C9H13NOS.3C9H13N.C8H12N2.C8H13N.C8H16O.C8H12O.C8H12S/c1-21(2,3)18-8-6-14-22(15-18)20(23)13-12-17-11-10-16-7-4-5-9-19(16)17;1-12-6-8-14(9-7-12)11-15(19)16(21)10-13(2)17(22)20-18(3,4)5;1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-9-6-5-7-10(13(9)17)11-8-12(16-15-11)14(2,3)4;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-6-10(11(3,4)5)7-12-9(8)2;1-9(2,3)7-6(8(10)11)4-5-12-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;4*1-8(2,3)7-5-4-6-9-7/h4-5,7,9,11,18H,6,8,10,12-15H2,1-3H3;6-9,13,15H,10-11,19H2,1-5H3,(H,20,22);1-8H3;5-8,17H,1-4H3,(H,15,16);4-9,11H,10H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6-7H,1-5H3;4-5H,1-3H3,(H2,10,11);3*4-7H,1-3H3;4-6H,1-3H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3/t;13-,15-;;;;;;;;;;;;;;;/m.0.............../s1
InChIKeyYNASQEVDYVHJKM-PSJITLDTSA-N
MW3045.60 g/mol
LogP48.03
Rot. Bonds14

About (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide

(2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide (PubChem CID 165102167) has the molecular formula C192H279N19O8S2 and a molecular weight of 3045.60 g/mol. Its IUPAC name is (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide
PubChem CID165102167
Molecular FormulaC192H279N19O8S2
Molecular Weight3045.60 g/mol
Exact Mass3043.15
IUPAC Name(2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide
SMILESCC(C)(C)C1=NCC=C1.CC(C)(C)C1CCCN(C(=O)CCC2=CCc3ccccc32)C1.CC(C)(C)C1CCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1sccc1C(N)=O.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C.Cc1ccc(C[C@H](N)C(=O)C[C@H](C)C(=O)NC(C)(C)C)cc1.Cc1cccc(-c2cc(C(C)(C)C)[nH]n2)c1O
InChIInChI=1S/C21H29NO.C18H28N2O2.C15H24.C14H18N2O.C14H18N2.C12H14N2O.C11H14N2.C11H17N.C9H13NOS.3C9H13N.C8H12N2.C8H13N.C8H16O.C8H12O.C8H12S/c1-21(2,3)18-8-6-14-22(15-18)20(23)13-12-17-11-10-16-7-4-5-9-19(16)17;1-12-6-8-14(9-7-12)11-15(19)16(21)10-13(2)17(22)20-18(3,4)5;1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-9-6-5-7-10(13(9)17)11-8-12(16-15-11)14(2,3)4;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-6-10(11(3,4)5)7-12-9(8)2;1-9(2,3)7-6(8(10)11)4-5-12-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;4*1-8(2,3)7-5-4-6-9-7/h4-5,7,9,11,18H,6,8,10,12-15H2,1-3H3;6-9,13,15H,10-11,19H2,1-5H3,(H,20,22);1-8H3;5-8,17H,1-4H3,(H,15,16);4-9,11H,10H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6-7H,1-5H3;4-5H,1-3H3,(H2,10,11);3*4-7H,1-3H3;4-6H,1-3H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3/t;13-,15-;;;;;;;;;;;;;;;/m.0.............../s1
InChIKeyYNASQEVDYVHJKM-PSJITLDTSA-N
XLogP48.03
TPSA381.99 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003045.60
LogP ≤ 548.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;tert-butylcyclopentane;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;3-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;2-methylpyrazolo[1,5-a]pyridine
CID 157320372
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 158043073
3,5-diamino-N-[8-(4-benzylmorpholine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-chloropyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(7H-cyclopenta[b]pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[(4,6-dimethoxypyrimidin-2-yl)methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-hydroxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(propan-2-ylcarbamoylamino)pyridine-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;bis(4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]-N-propan-2-ylindole-1-carboxamide);3,5-diamino-6-chloro-N-[8-(quinoline-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
CID 159393783
[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 131940354
1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 46471821
N-benzyl-2-tert-butyl-1,3-oxazol-5-amine;1-tert-butyl-3-chloro-4-methyl-5-phenylpyrazole;5-tert-butyl-2-(3-diethylphosphorylphenyl)-1,3-oxazole;4-tert-butyl-2-imidazol-1-yl-1,3-oxazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2-tert-butyl-1,3-oxazol-4-yl)methanamine;[3-(4-tert-butyl-1,3-oxazol-2-yl)phenyl]-piperazin-1-ylmethanone;(5-tert-butyl-1,3-oxazol-2-yl)-pyrrolidin-1-ylmethanone;2-tert-butyl-5-phenyl-1,3,4-oxadiazole;5-tert-butyl-3-phenyl-1,2-oxazole;5-tert-butyl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 158324975
N-tert-butylaniline;2-tert-butyl-2-azaspiro[3.3]heptane;tert-butylcyclobutane;1-tert-butyl-3-cyclopropylpyrazole;2-tert-butyl-5-cyclopropylpyrimidine;4-tert-butyl-1-(2-methoxyethyl)pyrazole;3-tert-butyl-5-methoxypyridazine;2-tert-butyl-5-methoxypyrimidine;N-tert-butyl-N-methylaniline;5-tert-butyl-2-methyl-1,3-oxazole;3-tert-butyl-6-methylpyridazine;2-tert-butyl-6-methylpyridine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-3-propan-2-ylpyrazole;2-tert-butyl-5-propan-2-ylpyridine;3-tert-butylpyridazine;2-tert-butylpyrimidine;(3R)-1-tert-butyl-3-(trifluoromethoxy)pyrrolidine;2,5-ditert-butylpyridine;1-(2,2-dimethylpropyl)-3,3-difluoropyrrolidine;methane;1-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole;2,2,3-trimethylbutane
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CID 165421222
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CID 51590636
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CID 95830116
3-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butylcyclohexa-2,4-dien-1-one;bis(tert-butylcyclohexane);2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;3-tert-butyl-1,2,5-oxadiazole;5-tert-butyloxadiazole;5-tert-butyl-1,2,4-oxadiazole;3-tert-butyloxane;4-tert-butyloxane;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;3-tert-butylthiane;4-tert-butylthiane
CID 158182197
(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(1R)-1-[4-(6-methoxy-2-pyridinyl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-(6-methoxy-2-pyridinyl)phenyl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-(2-oxo-1H-pyridin-3-yl)phenyl]ethyl]butanamide;(2R,3R)-N-[(1R)-1-[4-(3-chloro-4-pyridinyl)phenyl]ethyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(3-fluoro-4-pyridinyl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)phenyl]ethyl]-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-(4-thiophen-2-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1R)-1-[4-[2-(trifluoromethyl)phenyl]phenyl]ethyl]butanamide;(2R,3R)-4-(2-ethyl-2-phenylpyrrolidin-1-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]butanamide
CID 159196864

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide?
The IUPAC name of (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide (CID 165102167) is (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide.
What is the SMILES notation for (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide?
The canonical SMILES for (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide is CC(C)(C)C1=NCC=C1.CC(C)(C)C1CCCN(C(=O)CCC2=CCc3ccccc32)C1.CC(C)(C)C1CCCO1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn(Cc2ccccc2)c1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc2ccccc2[nH]1.CC(C)(C)c1sccc1C(N)=O.Cc1c(C)c(C)c(C(C)(C)C)c(C)c1C.Cc1cc(C(C)(C)C)cnc1C.Cc1ccc(C[C@H](N)C(=O)C[C@H](C)C(=O)NC(C)(C)C)cc1.Cc1cccc(-c2cc(C(C)(C)C)[nH]n2)c1O.
What is the InChIKey of (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide?
The InChIKey is YNASQEVDYVHJKM-PSJITLDTSA-N. The full InChI is InChI=1S/C21H29NO.C18H28N2O2.C15H24.C14H18N2O.C14H18N2.C12H14N2O.C11H14N2.C11H17N.C9H13NOS.3C9H13N.C8H12N2.C8H13N.C8H16O.C8H12O.C8H12S/c1-21(2,3)18-8-6-14-22(15-18)20(23)13-12-17-11-10-16-7-4-5-9-19(16)17;1-12-6-8-14(9-7-12)11-15(19)16(21)10-13(2)17(22)20-18(3,4)5;1-9-10(2)12(4)14(15(6,7)8)13(5)11(9)3;1-9-6-5-7-10(13(9)17)11-8-12(16-15-11)14(2,3)4;1-14(2,3)13-9-15-16(11-13)10-12-7-5-4-6-8-12;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-11(2,3)10-12-8-6-4-5-7-9(8)13-10;1-8-6-10(11(3,4)5)7-12-9(8)2;1-9(2,3)7-6(8(10)11)4-5-12-7;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-6-9-4-5-10-7;4*1-8(2,3)7-5-4-6-9-7/h4-5,7,9,11,18H,6,8,10,12-15H2,1-3H3;6-9,13,15H,10-11,19H2,1-5H3,(H,20,22);1-8H3;5-8,17H,1-4H3,(H,15,16);4-9,11H,10H2,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13);6-7H,1-5H3;4-5H,1-3H3,(H2,10,11);3*4-7H,1-3H3;4-6H,1-3H3;4-5H,6H2,1-3H3;7H,4-6H2,1-3H3;2*4-6H,1-3H3/t;13-,15-;;;;;;;;;;;;;;;/m.0.............../s1.
What are the key properties of (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide?
(2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide has a molecular weight of 3045.60 g/mol, XLogP of 48.03, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-amino-N-tert-butyl-2-methyl-6-(4-methylphenyl)-4-oxohexanamide;1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1H-benzimidazole;5-tert-butyl-2,3-dimethylpyridine;2-tert-butylfuran;2-tert-butyloxolane;1-tert-butyl-2,3,4,5,6-pentamethylbenzene;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;1-(3-tert-butylpiperidin-1-yl)-3-(3H-inden-1-yl)propan-1-one;2-tert-butylpyrazine;2-(5-tert-butyl-1H-pyrazol-3-yl)-6-methylphenol;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butyl-2H-pyrrole;2-tert-butylthiophene;2-tert-butylthiophene-3-carboxamide is sourced from PubChem (CID 165102167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).