N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane

C103H134ClN31O21 — CID 159966210

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane
SMILESC.C.C.C.C.C.CCCC(C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccc(C)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(C)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc3c(c2)OCO3)n(C)c1=O
InChIInChI=1S/C18H21N5O3.C17H17N5O5.C17H19N5O4.C16H16ClN5O3.C15H16N6O3.C14H21N5O3.6CH4/c1-10-6-11(2)14(12(3)7-10)20-13(24)8-23-9-19-16-15(23)17(25)22(5)18(26)21(16)4;1-20-15-14(16(24)21(2)17(20)25)22(8-19-15)7-13(23)18-6-10-3-4-11-12(5-10)27-9-26-11;1-10-5-6-12(26-4)11(7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(3)17(25)20(15)2;1-9-4-5-10(17)6-11(9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-10(16-6-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2;1-5-6-9(2)16-10(20)7-19-8-15-12-11(19)13(21)18(4)14(22)17(12)3;;;;;;/h6-7,9H,8H2,1-5H3,(H,20,24);3-5,8H,6-7,9H2,1-2H3,(H,18,23);5-7,9H,8H2,1-4H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,16,18,22);8-9H,5-7H2,1-4H3,(H,16,20);6*1H4
InChIKeyODYRZFRAGADELZ-UHFFFAOYSA-N
MW2177.85 g/mol
LogP5.23
Rot. Bonds22

About N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane

N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane (PubChem CID 159966210) has the molecular formula C103H134ClN31O21 and a molecular weight of 2177.85 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane
PubChem CID159966210
Molecular FormulaC103H134ClN31O21
Molecular Weight2177.85 g/mol
Exact Mass2176.01
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane
SMILESC.C.C.C.C.C.CCCC(C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccc(C)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(C)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc3c(c2)OCO3)n(C)c1=O
InChIInChI=1S/C18H21N5O3.C17H17N5O5.C17H19N5O4.C16H16ClN5O3.C15H16N6O3.C14H21N5O3.6CH4/c1-10-6-11(2)14(12(3)7-10)20-13(24)8-23-9-19-16-15(23)17(25)22(5)18(26)21(16)4;1-20-15-14(16(24)21(2)17(20)25)22(8-19-15)7-13(23)18-6-10-3-4-11-12(5-10)27-9-26-11;1-10-5-6-12(26-4)11(7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(3)17(25)20(15)2;1-9-4-5-10(17)6-11(9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-10(16-6-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2;1-5-6-9(2)16-10(20)7-19-8-15-12-11(19)13(21)18(4)14(22)17(12)3;;;;;;/h6-7,9H,8H2,1-5H3,(H,20,24);3-5,8H,6-7,9H2,1-2H3,(H,18,23);5-7,9H,8H2,1-4H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,16,18,22);8-9H,5-7H2,1-4H3,(H,16,20);6*1H4
InChIKeyODYRZFRAGADELZ-UHFFFAOYSA-N
XLogP5.23
TPSA586.10 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds22
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002177.85
LogP ≤ 55.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane with MolForge

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Related Compounds

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
[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone;1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]-N-cyclopropylpyrazole-4-carboxamide;[1-[4-[bis(4-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-pyrrolidin-1-ylmethanone;[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone;morpholin-4-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;morpholin-4-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone
CID 158250513
N-(3-chloro-5-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxyphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methylphenyl)propanamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylpropanamide
CID 158405370
N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pyridin-2-ylacetamide
CID 159322859
N-(1,3-benzodioxol-5-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide;N-(2-chloro-4-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluorophenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methylbutan-2-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenyl-N-propan-2-ylacetamide
CID 159517793
1,3-Dimethyl-7-[[4-(2-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;1,3-dimethyl-7-[[4-(3-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;1,3-dimethyl-7-[[4-(4-methylphenyl)piperazin-1-yl]methyl]purine-2,6-dione;7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;7-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione;1,3-dimethyl-7-[(4-phenylpiperazin-1-yl)methyl]purine-2,6-dione;1,3-dimethyl-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]purine-2,6-dione;7-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 160424662
N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-fluoro-4-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 160924394
2-[4-[[(1-butylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(6-chloro-1-propylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;2-[4-[[(1-cyclopentylindol-3-yl)methylamino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;N-hydroxy-2-[4-[[[1-(2-methoxyethyl)indol-3-yl]methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(1-methylindol-5-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(5-propyl-[1,3]dioxolo[4,5-f]indol-7-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide;N-hydroxy-2-[4-[[(1,2,5-trimethylindol-3-yl)methylamino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 160924737
4-Chloro-2-imidazol-1-yl-6-methylpyrimidine;ethyl 2-amino-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)acetate;ethyl 2-(benzhydrylideneamino)-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)acetate;ethyl 2-[[2-(1,3-benzodioxol-5-ylmethylamino)acetyl]amino]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)acetate;ethyl 2-[[2-[1,3-benzodioxol-5-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]-2-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)acetate
CID 162044889

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane (CID 159966210) is N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane is C.C.C.C.C.C.CCCC(C)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.COc1ccc(C)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1cc(C)c(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1.Cc1ccc(Cl)cc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cc1ccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)nc1.Cn1c(=O)c2c(ncn2CC(=O)NCc2ccc3c(c2)OCO3)n(C)c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane?
The InChIKey is ODYRZFRAGADELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3.C17H17N5O5.C17H19N5O4.C16H16ClN5O3.C15H16N6O3.C14H21N5O3.6CH4/c1-10-6-11(2)14(12(3)7-10)20-13(24)8-23-9-19-16-15(23)17(25)22(5)18(26)21(16)4;1-20-15-14(16(24)21(2)17(20)25)22(8-19-15)7-13(23)18-6-10-3-4-11-12(5-10)27-9-26-11;1-10-5-6-12(26-4)11(7-10)19-13(23)8-22-9-18-15-14(22)16(24)21(3)17(25)20(15)2;1-9-4-5-10(17)6-11(9)19-12(23)7-22-8-18-14-13(22)15(24)21(3)16(25)20(14)2;1-9-4-5-10(16-6-9)18-11(22)7-21-8-17-13-12(21)14(23)20(3)15(24)19(13)2;1-5-6-9(2)16-10(20)7-19-8-15-12-11(19)13(21)18(4)14(22)17(12)3;;;;;;/h6-7,9H,8H2,1-5H3,(H,20,24);3-5,8H,6-7,9H2,1-2H3,(H,18,23);5-7,9H,8H2,1-4H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,19,23);4-6,8H,7H2,1-3H3,(H,16,18,22);8-9H,5-7H2,1-4H3,(H,16,20);6*1H4.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane?
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane has a molecular weight of 2177.85 g/mol, XLogP of 5.23, 22 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-(5-chloro-2-methylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methoxy-5-methylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-pyridinyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-pentan-2-ylacetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,4,6-trimethylphenyl)acetamide;methane is sourced from PubChem (CID 159966210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).