N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate

C124H149N35O28 — CID 159621477

IUPACN-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
SMILESC.C.C.C.C.C.CC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CCc1cccc(C)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H21N5O3.2C17H17N5O5.C17H19N5O4.C17H17N5O4.C16H17N5O4.C16H17N5O3.6CH4/c1-5-12-8-6-7-11(2)14(12)20-13(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-6-4-10(5-7-11)16(25)27-3;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-7-5-4-6-10(11)16(25)27-3;1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)9-13(23)18-8-11-4-6-12(26-3)7-5-11;1-10(23)11-4-6-12(7-5-11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-6-4-5-7-11(10)25-3;1-10-6-4-5-7-11(10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2;;;;;;/h6-8,10H,5,9H2,1-4H3,(H,20,24);2*4-7,9H,8H2,1-3H3,(H,19,23);4-7,10H,8-9H2,1-3H3,(H,18,23);4-7,9H,8H2,1-3H3,(H,19,24);4-7,9H,8H2,1-3H3,(H,18,22);4-7,9H,8H2,1-3H3,(H,18,22);6*1H4
InChIKeyMNYDGKZABBIGGH-UHFFFAOYSA-N
MW2577.77 g/mol
LogP4.97
Rot. Bonds28

About N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate

N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate (PubChem CID 159621477) has the molecular formula C124H149N35O28 and a molecular weight of 2577.77 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
PubChem CID159621477
Molecular FormulaC124H149N35O28
Molecular Weight2577.77 g/mol
Exact Mass2576.13
IUPAC NameN-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
SMILESC.C.C.C.C.C.CC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CCc1cccc(C)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H21N5O3.2C17H17N5O5.C17H19N5O4.C17H17N5O4.C16H17N5O4.C16H17N5O3.6CH4/c1-5-12-8-6-7-11(2)14(12)20-13(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-6-4-10(5-7-11)16(25)27-3;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-7-5-4-6-10(11)16(25)27-3;1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)9-13(23)18-8-11-4-6-12(26-3)7-5-11;1-10(23)11-4-6-12(7-5-11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-6-4-5-7-11(10)25-3;1-10-6-4-5-7-11(10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2;;;;;;/h6-8,10H,5,9H2,1-4H3,(H,20,24);2*4-7,9H,8H2,1-3H3,(H,19,23);4-7,10H,8-9H2,1-3H3,(H,18,23);4-7,9H,8H2,1-3H3,(H,19,24);4-7,9H,8H2,1-3H3,(H,18,22);4-7,9H,8H2,1-3H3,(H,18,22);6*1H4
InChIKeyMNYDGKZABBIGGH-UHFFFAOYSA-N
XLogP4.97
TPSA724.57 Ų
H-Bond Donors7
H-Bond Acceptors56
Rotatable Bonds28
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002577.77
LogP ≤ 54.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1056

Analyze N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide;N-(1,1-difluoroethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-methylphenyl)acetamide;methyl 3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 158026410
tert-butyl 4-[7-benzyl-1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(2,2-dimethylpropanoyloxymethyl)-7-(2-ethenylphenyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylate;tert-butyl 4-[1-(2,2-dimethylpropanoyloxymethyl)-3-methyl-2,6-dioxo-7H-purin-8-yl]piperazine-1-carboxylate;7-(2-methoxyphenyl)-3-methyl-1-phenacyl-8-piperazin-1-ylpurine-2,6-dione;7-(2-methoxyphenyl)-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;bis(2,2,2-trifluoroacetic acid)
CID 158520266
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methoxyphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(3-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-methylphenyl)phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 162179780
N-(4-tert-butylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(2-cyclopentylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-methoxyphenyl)propyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(4-methylphenyl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 123913173
N-[2-(diethylamino)ethyl]-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide;(3E)-3-[[5-[6-(4-methyl-1,4-diazepane-1-carbonyl)-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one;N-[(3-methylimidazol-4-yl)methyl]-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide;(3E)-3-[[5-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]furan-2-yl]methylidene]-1H-indol-2-one;N-[(1-methylpiperidin-2-yl)methyl]-5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]pyridine-2-carboxamide;5-[5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 157319750
3,7-Dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;3,7-dimethyl-1-[[4-(3-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;3,7-dimethyl-1-[[4-(4-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;1-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;1-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione;3,7-dimethyl-1-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione;3,7-dimethyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]purine-2,6-dione;1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3,7-dimethylpurine-2,6-dione
CID 157658138
2-[6-(1,3-Benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)-4,6-diphenyl-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)-4-phenyl-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)-2-pyridinyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[5-(1,3-benzoxazol-2-yl)pyrimidin-2-yl]carbazol-3-yl]-1,3-benzoxazole;bis(2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3-benzoxazol-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzoxazole)
CID 157726608
CID 157951644
CID 157951644
4-[4-[[(6aS)-2-methyl-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-2-carboxamide;4-[4-[[(6aS)-2-methyl-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-N-(6-morpholin-4-yl-3-pyridinyl)imidazole-2-carboxamide;4-[4-[4-[[(6aS)-2-methyl-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]pyrrole-2-carboxamide;4-[4-[4-[[(6aS)-2-methyl-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]phenyl]-1-methyl-N-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 158063216
N-(4-benzylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(9-ethylcarbazol-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-[(4-methoxyphenyl)methyl]phenyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-piperidin-1-ylphenyl)acetamide;methane
CID 158279626
N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)acetamide;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 158692148
4-[8-amino-5-ethyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-(8-amino-1-furo[3,2-b]pyridin-2-ylimidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(4-oxo-1,5-dihydropyrrolo[3,2-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide;4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylpiperidine-1-carboxamide
CID 158889044

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?
The IUPAC name of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate (CID 159621477) is N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate.
What is the SMILES notation for N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?
The canonical SMILES for N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate is C.C.C.C.C.C.CC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.CCc1cccc(C)c1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COC(=O)c1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1.COc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?
The InChIKey is MNYDGKZABBIGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3.2C17H17N5O5.C17H19N5O4.C17H17N5O4.C16H17N5O4.C16H17N5O3.6CH4/c1-5-12-8-6-7-11(2)14(12)20-13(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-6-4-10(5-7-11)16(25)27-3;1-20-14-13(15(24)21(2)17(20)26)22(9-18-14)8-12(23)19-11-7-5-4-6-10(11)16(25)27-3;1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)9-13(23)18-8-11-4-6-12(26-3)7-5-11;1-10(23)11-4-6-12(7-5-11)19-13(24)8-22-9-18-15-14(22)16(25)21(3)17(26)20(15)2;1-19-14-13(15(23)20(2)16(19)24)21(9-17-14)8-12(22)18-10-6-4-5-7-11(10)25-3;1-10-6-4-5-7-11(10)18-12(22)8-21-9-17-14-13(21)15(23)20(3)16(24)19(14)2;;;;;;/h6-8,10H,5,9H2,1-4H3,(H,20,24);2*4-7,9H,8H2,1-3H3,(H,19,23);4-7,10H,8-9H2,1-3H3,(H,18,23);4-7,9H,8H2,1-3H3,(H,19,24);4-7,9H,8H2,1-3H3,(H,18,22);4-7,9H,8H2,1-3H3,(H,18,22);6*1H4.
What are the key properties of N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate?
N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate has a molecular weight of 2577.77 g/mol, XLogP of 4.97, 28 rotatable bonds, 7 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethyl-6-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-methoxyphenyl)methyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)acetamide;methane;methyl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate;methyl 4-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate is sourced from PubChem (CID 159621477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).