benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene

C192H270N12O13S — CID 158656464

IUPACbenzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene
SMILESCC(C)(C)C(=O)N[C@@H]1CCOc2ccccc21.CC(C)C(=O)OCc1ccccc1.CC(C)OC(C)c1ccccc1.CC(C)OCc1ccccc1.CC(C)c1cc2ccc(S(C)(=O)=O)cc2n1C.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cccc(C(C)C)c1.CCCc1c(C(C)C)n(C)c2ccccc12.CC[C@@H](NC(=O)C(C)(C)C)c1ccccc1.CN1C(=O)C(C)(C)c2cc(C(C)(C)C)ccc21.COc1ccccc1C(C)(C)C.Cc1c(C(C)C)cnn1C(C)C.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1ccc(C(C)C)o1.Cc1cncc(CC(=O)C(C)C)c1
InChIInChI=1S/C15H21NO.C15H21N.C14H19NO2.C14H21NO.C13H17NO2S.2C13H17N.C12H18.C11H14N2.C11H15NO.C11H14O2.2C11H16O.C10H18N2.C10H14O.C8H12O/c1-14(2,3)10-7-8-12-11(9-10)15(4,5)13(17)16(12)6;1-5-8-13-12-9-6-7-10-14(12)16(4)15(13)11(2)3;1-14(2,3)13(16)15-11-8-9-17-12-7-5-4-6-10(11)12;1-5-12(11-9-7-6-8-10-11)15-13(16)14(2,3)4;1-9(2)12-7-10-5-6-11(17(4,15)16)8-13(10)14(12)3;2*1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)11(13)5-10-4-9(3)6-12-7-10;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-7(2)10-6-11-12(8(3)4)9(10)5;1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)8-5-4-7(3)9-8/h7-9H,1-6H3;6-7,9-11H,5,8H2,1-4H3;4-7,11H,8-9H2,1-3H3,(H,15,16);6-10,12H,5H2,1-4H3,(H,15,16);5-9H,1-4H3;2*5-9H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;4,6-8H,5H2,1-3H3;3-7,9H,8H2,1-2H3;5-8H,1-4H3;4-10H,1-3H3;6-8H,1-5H3;3-7,9H,8H2,1-2H3;4-6H,1-3H3/t;;11-;12-;;;;;;;;;;;;/m..11............/s1
InChIKeyICEVUBBSWDJYDV-ICBGLKAZSA-N
MW2986.41 g/mol
LogP48.95
Rot. Bonds30

About benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene

benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene (PubChem CID 158656464) has the molecular formula C192H270N12O13S and a molecular weight of 2986.41 g/mol. Its IUPAC name is benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene.

Molecular Properties

Compound Namebenzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene
PubChem CID158656464
Molecular FormulaC192H270N12O13S
Molecular Weight2986.41 g/mol
Exact Mass2984.06
IUPAC Namebenzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene
SMILESCC(C)(C)C(=O)N[C@@H]1CCOc2ccccc21.CC(C)C(=O)OCc1ccccc1.CC(C)OC(C)c1ccccc1.CC(C)OCc1ccccc1.CC(C)c1cc2ccc(S(C)(=O)=O)cc2n1C.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cccc(C(C)C)c1.CCCc1c(C(C)C)n(C)c2ccccc12.CC[C@@H](NC(=O)C(C)(C)C)c1ccccc1.CN1C(=O)C(C)(C)c2cc(C(C)(C)C)ccc21.COc1ccccc1C(C)(C)C.Cc1c(C(C)C)cnn1C(C)C.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1ccc(C(C)C)o1.Cc1cncc(CC(=O)C(C)C)c1
InChIInChI=1S/C15H21NO.C15H21N.C14H19NO2.C14H21NO.C13H17NO2S.2C13H17N.C12H18.C11H14N2.C11H15NO.C11H14O2.2C11H16O.C10H18N2.C10H14O.C8H12O/c1-14(2,3)10-7-8-12-11(9-10)15(4,5)13(17)16(12)6;1-5-8-13-12-9-6-7-10-14(12)16(4)15(13)11(2)3;1-14(2,3)13(16)15-11-8-9-17-12-7-5-4-6-10(11)12;1-5-12(11-9-7-6-8-10-11)15-13(16)14(2,3)4;1-9(2)12-7-10-5-6-11(17(4,15)16)8-13(10)14(12)3;2*1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)11(13)5-10-4-9(3)6-12-7-10;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-7(2)10-6-11-12(8(3)4)9(10)5;1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)8-5-4-7(3)9-8/h7-9H,1-6H3;6-7,9-11H,5,8H2,1-4H3;4-7,11H,8-9H2,1-3H3,(H,15,16);6-10,12H,5H2,1-4H3,(H,15,16);5-9H,1-4H3;2*5-9H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;4,6-8H,5H2,1-3H3;3-7,9H,8H2,1-2H3;5-8H,1-4H3;4-10H,1-3H3;6-8H,1-5H3;3-7,9H,8H2,1-2H3;4-6H,1-3H3/t;;11-;12-;;;;;;;;;;;;/m..11............/s1
InChIKeyICEVUBBSWDJYDV-ICBGLKAZSA-N
XLogP48.95
TPSA274.33 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002986.41
LogP ≤ 548.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene with MolForge

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Related Compounds

(4R)-4-methyl-6-(2-methylindazol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1-methyl-6-methylsulfonylindol-2-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;4-methyl-6-[2-(5-methyl-3-pyridinyl)acetyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-7-(1-phenylethoxy)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one;(4R)-4-methyl-6-(1,3,3-trimethyl-2-oxoindol-5-yl)-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 157347896
[2-[4-(1H-indazol-5-yl)-2-methylbut-3-yn-2-yl]-1,3-dihydroisoindol-4-yl]-piperidin-1-ylmethanone;2-[4-(3-methoxyphenyl)-2-methylbutan-2-yl]-5-methylsulfonylisoindole;5-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)but-1-ynyl]-1H-indazole
CID 158438850
benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;1,3-dimethyl-2-propan-2-ylindole;1,3-di(propan-2-yl)benzene;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;(4-propan-2-ylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone;6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 159029989
(2,2-dimethyl-3H-1-benzofuran-4-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(4-ethylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(1-methylindol-5-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
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1-Benzylsulfonyl-2-tert-butylindole;2-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;bis(1,3-dimethyl-2-propan-2-ylindole);1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole
CID 160613631
2-Tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindole;5-tert-butyl-1,3,3-trimethyl-3a,7a-dihydroindol-2-one;1,3-dimethyl-5-propan-2-ylindazole;1,3-dimethyl-2-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indazole;5-methyl-1,4-di(propan-2-yl)pyrazole;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-yl-3-propylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;1-phenyl-4-propan-2-ylpyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;sulfur dioxide
CID 160851253
1-benzylsulfonyl-2-tert-butylindole;4-tert-butyl-2-methylpyridine;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butylpyridin-2-amine;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;4-fluoro-1-methoxy-2-propan-2-ylbenzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;2-methyl-5-propan-2-ylfuran;1-methyl-2-propan-2-yl-3-propylindole;propan-2-yloxymethylbenzene
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3-benzyl-1-methyl-4-propan-2-ylpyrazole;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-ethoxyethyl)indole;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;5-tert-butyl-2-phenylmethoxypyridine;1-ethylsulfonyl-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-(2-methoxyphenyl)-3-methylbutan-2-one;3-methyl-1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;N-methyl-3-propan-2-ylbenzamide;1-methylsulfonyl-3-propan-2-ylbenzene;3-propan-2-ylbenzenesulfonamide
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1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-1-(2-phenylethyl)indole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;1-isoquinolin-1-yl-3-methylbutan-2-one;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;methyl 1-methyl-2-propan-2-ylindole-6-carboxylate;2-propan-2-yloxyethylbenzene;2-(propan-2-yloxymethyl)pyridine
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1-tert-butyl-2-methoxybenzene;4-tert-butyl-1-methylsulfonylpyrazole;3-tert-butyl-1-methyl-4,5,6,7-tetrahydroindazole;5-tert-butyl-1,3,3-trimethylindol-2-one;2-(3,3-dimethylbut-1-enyl)benzenesulfonamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;[(E)-3-methylbut-1-enyl]cyclohexane;5-methyl-1,4-di(propan-2-yl)pyrazole;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole
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1-(benzenesulfonyl)-2-propan-2-ylindole;1-benzyl-5-methyl-3-propan-2-ylpyrazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1,3-dihydroindol-2-one;4-tert-butyl-5-methyl-1-(1-phenylethyl)pyrazole;6-tert-butyl-1,3,3-trimethylindol-2-one;1-(3,3-dimethylbut-1-en-2-yl)-4-methoxybenzene;N,N-dimethyl-4-propan-2-ylaniline;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-isoquinolin-1-yl-3-methylbutan-2-one;1-(methoxymethyl)-3-propan-2-ylbenzene;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;1-methyl-4-[(E)-3-methylbut-1-enyl]pyrazole;N-methyl-3-propan-2-ylbenzamide;3-propan-2-ylbenzenesulfonamide;6-propan-2-yl-1,3-dihydroindol-2-one
CID 162147621

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene?
The IUPAC name of benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene (CID 158656464) is benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene.
What is the SMILES notation for benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene?
The canonical SMILES for benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene is CC(C)(C)C(=O)N[C@@H]1CCOc2ccccc21.CC(C)C(=O)OCc1ccccc1.CC(C)OC(C)c1ccccc1.CC(C)OCc1ccccc1.CC(C)c1cc2ccc(S(C)(=O)=O)cc2n1C.CC(C)c1ccc2nn(C)cc2c1.CC(C)c1cccc(C(C)C)c1.CCCc1c(C(C)C)n(C)c2ccccc12.CC[C@@H](NC(=O)C(C)(C)C)c1ccccc1.CN1C(=O)C(C)(C)c2cc(C(C)(C)C)ccc21.COc1ccccc1C(C)(C)C.Cc1c(C(C)C)cnn1C(C)C.Cc1c(C(C)C)n(C)c2ccccc12.Cc1c(C(C)C)n(C)c2ccccc12.Cc1ccc(C(C)C)o1.Cc1cncc(CC(=O)C(C)C)c1.
What is the InChIKey of benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene?
The InChIKey is ICEVUBBSWDJYDV-ICBGLKAZSA-N. The full InChI is InChI=1S/C15H21NO.C15H21N.C14H19NO2.C14H21NO.C13H17NO2S.2C13H17N.C12H18.C11H14N2.C11H15NO.C11H14O2.2C11H16O.C10H18N2.C10H14O.C8H12O/c1-14(2,3)10-7-8-12-11(9-10)15(4,5)13(17)16(12)6;1-5-8-13-12-9-6-7-10-14(12)16(4)15(13)11(2)3;1-14(2,3)13(16)15-11-8-9-17-12-7-5-4-6-10(11)12;1-5-12(11-9-7-6-8-10-11)15-13(16)14(2,3)4;1-9(2)12-7-10-5-6-11(17(4,15)16)8-13(10)14(12)3;2*1-9(2)13-10(3)11-7-5-6-8-12(11)14(13)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)9-4-5-11-10(6-9)7-13(3)12-11;1-8(2)11(13)5-10-4-9(3)6-12-7-10;1-9(2)11(12)13-8-10-6-4-3-5-7-10;1-11(2,3)9-7-5-6-8-10(9)12-4;1-9(2)12-10(3)11-7-5-4-6-8-11;1-7(2)10-6-11-12(8(3)4)9(10)5;1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)8-5-4-7(3)9-8/h7-9H,1-6H3;6-7,9-11H,5,8H2,1-4H3;4-7,11H,8-9H2,1-3H3,(H,15,16);6-10,12H,5H2,1-4H3,(H,15,16);5-9H,1-4H3;2*5-9H,1-4H3;5-10H,1-4H3;4-8H,1-3H3;4,6-8H,5H2,1-3H3;3-7,9H,8H2,1-2H3;5-8H,1-4H3;4-10H,1-3H3;6-8H,1-5H3;3-7,9H,8H2,1-2H3;4-6H,1-3H3/t;;11-;12-;;;;;;;;;;;;/m..11............/s1.
What are the key properties of benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene?
benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene has a molecular weight of 2986.41 g/mol, XLogP of 48.95, 30 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methylpropanoate;1-tert-butyl-2-methoxybenzene;5-tert-butyl-1,3,3-trimethylindol-2-one;N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2,2-dimethylpropanamide;2,2-dimethyl-N-[(1R)-1-phenylpropyl]propanamide;bis(1,3-dimethyl-2-propan-2-ylindole);1,3-di(propan-2-yl)benzene;5-methyl-1,4-di(propan-2-yl)pyrazole;3-methyl-1-(5-methyl-3-pyridinyl)butan-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-yl-3-propylindole;1-propan-2-yloxyethylbenzene;propan-2-yloxymethylbenzene is sourced from PubChem (CID 158656464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).