3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate

C201H309N25O18 — CID 158236709

IUPAC3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate
SMILESC.CC(C)(C)C(=O)N1CCN(Cc2cccnc2)CC1.CC(C)(C)C(=O)NCCc1ccccc1.CC(C)(C)C(=O)NCCc1ccccc1.CC(C)(C)C(=O)NCCc1ccccn1.CC(C)(C)C(=O)NCCc1ccncc1.CC(C)(C)C(=O)NCc1cccnc1.CC(C)(C)C(=O)Nc1ccccc1.CC(NC(=O)C(C)(C)C)c1ccccc1.CC(c1ccccc1)C(C)(C)C.CCc1ccc(CCNC(=O)C(C)(C)C)cc1.CN1CCC(CNC(=O)C(C)(C)C)CC1.COC(=O)c1cccc(NC(=O)C(C)(C)C)c1.COc1cccc(CCNC(=O)C(C)(C)C)c1.Cc1ccc(CCNC(=O)C(C)(C)C)cc1.Cn1ccc(CNC(=O)C(C)(C)C)n1.Cn1cnc(CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H23N3O.C15H23NO.C14H21NO2.C14H21NO.C13H17NO3.3C13H19NO.C12H24N2O.2C12H18N2O.C12H18.C11H16N2O.C11H15NO.2C10H17N3O.CH4/c1-15(2,3)14(19)18-9-7-17(8-10-18)12-13-5-4-6-16-11-13;1-5-12-6-8-13(9-7-12)10-11-16-14(17)15(2,3)4;1-14(2,3)13(16)15-9-8-11-6-5-7-12(10-11)17-4;1-11-5-7-12(8-6-11)9-10-15-13(16)14(2,3)4;1-13(2,3)12(16)14-10-7-5-6-9(8-10)11(15)17-4;1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4;2*1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11;1-12(2,3)11(15)13-9-10-5-7-14(4)8-6-10;1-12(2,3)11(15)14-9-6-10-4-7-13-8-5-10;1-12(2,3)11(15)14-9-7-10-6-4-5-8-13-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)10(14)13-8-9-5-4-6-12-7-9;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-10(2,3)9(14)11-5-8-6-13(4)7-12-8;1-10(2,3)9(14)11-7-8-5-6-13(4)12-8;/h4-6,11H,7-10,12H2,1-3H3;6-9H,5,10-11H2,1-4H3,(H,16,17);5-7,10H,8-9H2,1-4H3,(H,15,16);5-8H,9-10H2,1-4H3,(H,15,16);5-8H,1-4H3,(H,14,16);5-10H,1-4H3,(H,14,15);2*4-8H,9-10H2,1-3H3,(H,14,15);10H,5-9H2,1-4H3,(H,13,15);4-5,7-8H,6,9H2,1-3H3,(H,14,15);4-6,8H,7,9H2,1-3H3,(H,14,15);5-10H,1-4H3;4-7H,8H2,1-3H3,(H,13,14);4-8H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,11,14);5-6H,7H2,1-4H3,(H,11,14);1H4
InChIKeyGFBAOXSEPNDOIA-UHFFFAOYSA-N
MW3363.84 g/mol
LogP36.09
Rot. Bonds39

About 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate

3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate (PubChem CID 158236709) has the molecular formula C201H309N25O18 and a molecular weight of 3363.84 g/mol. Its IUPAC name is 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate.

Molecular Properties

Compound Name3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate
PubChem CID158236709
Molecular FormulaC201H309N25O18
Molecular Weight3363.84 g/mol
Exact Mass3361.40
IUPAC Name3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate
SMILESC.CC(C)(C)C(=O)N1CCN(Cc2cccnc2)CC1.CC(C)(C)C(=O)NCCc1ccccc1.CC(C)(C)C(=O)NCCc1ccccc1.CC(C)(C)C(=O)NCCc1ccccn1.CC(C)(C)C(=O)NCCc1ccncc1.CC(C)(C)C(=O)NCc1cccnc1.CC(C)(C)C(=O)Nc1ccccc1.CC(NC(=O)C(C)(C)C)c1ccccc1.CC(c1ccccc1)C(C)(C)C.CCc1ccc(CCNC(=O)C(C)(C)C)cc1.CN1CCC(CNC(=O)C(C)(C)C)CC1.COC(=O)c1cccc(NC(=O)C(C)(C)C)c1.COc1cccc(CCNC(=O)C(C)(C)C)c1.Cc1ccc(CCNC(=O)C(C)(C)C)cc1.Cn1ccc(CNC(=O)C(C)(C)C)n1.Cn1cnc(CNC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H23N3O.C15H23NO.C14H21NO2.C14H21NO.C13H17NO3.3C13H19NO.C12H24N2O.2C12H18N2O.C12H18.C11H16N2O.C11H15NO.2C10H17N3O.CH4/c1-15(2,3)14(19)18-9-7-17(8-10-18)12-13-5-4-6-16-11-13;1-5-12-6-8-13(9-7-12)10-11-16-14(17)15(2,3)4;1-14(2,3)13(16)15-9-8-11-6-5-7-12(10-11)17-4;1-11-5-7-12(8-6-11)9-10-15-13(16)14(2,3)4;1-13(2,3)12(16)14-10-7-5-6-9(8-10)11(15)17-4;1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4;2*1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11;1-12(2,3)11(15)13-9-10-5-7-14(4)8-6-10;1-12(2,3)11(15)14-9-6-10-4-7-13-8-5-10;1-12(2,3)11(15)14-9-7-10-6-4-5-8-13-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)10(14)13-8-9-5-4-6-12-7-9;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-10(2,3)9(14)11-5-8-6-13(4)7-12-8;1-10(2,3)9(14)11-7-8-5-6-13(4)12-8;/h4-6,11H,7-10,12H2,1-3H3;6-9H,5,10-11H2,1-4H3,(H,16,17);5-7,10H,8-9H2,1-4H3,(H,15,16);5-8H,9-10H2,1-4H3,(H,15,16);5-8H,1-4H3,(H,14,16);5-10H,1-4H3,(H,14,15);2*4-8H,9-10H2,1-3H3,(H,14,15);10H,5-9H2,1-4H3,(H,13,15);4-5,7-8H,6,9H2,1-3H3,(H,14,15);4-6,8H,7,9H2,1-3H3,(H,14,15);5-10H,1-4H3;4-7H,8H2,1-3H3,(H,13,14);4-8H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,11,14);5-6H,7H2,1-4H3,(H,11,14);1H4
InChIKeyGFBAOXSEPNDOIA-UHFFFAOYSA-N
XLogP36.09
TPSA556.92 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds39
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003363.84
LogP ≤ 536.09
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate with MolForge

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Related Compounds

3-[2-[2-[[6-[2-[[3-[2-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-5-yl]ethyl]-2-fluoro-5-methoxybenzoyl]amino]ethyl]-3-pyridinyl]amino]pyrimidin-5-yl]ethyl]-4-fluoro-5-methoxy-N-methylbenzamide
CID 130206701
3-[2-[2-[[1-[3-[[3-[2-[2-[(1-ethyl-3-methylpyrazol-4-yl)amino]pyrimidin-5-yl]ethyl]-4-fluoro-5-methoxybenzoyl]amino]propyl]-5-methylpyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-4-fluoro-5-methoxy-N-methylbenzamide
CID 130206779
4-fluoro-3-[2-[2-[[1-[4-[[4-fluoro-3-methoxy-5-[2-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-5-yl]ethyl]benzoyl]amino]butan-2-yl]pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-methoxy-N-methylbenzamide
CID 130206780
2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;methane;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 157254004
2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 160870396
2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;3-methyl-6-[4-[2-(4-propan-2-ylphenyl)prop-2-enyl]piperazin-1-yl]pyridazine;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 161298493
2-(4-tert-butylphenyl)-2,2-difluoro-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;2-(4-tert-butylphenyl)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone;(3-methyl-4-propan-2-ylphenyl) 4-(6-methylpyridazin-3-yl)piperazine-1-carboxylate;1-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone;1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-(6-propan-2-yl-3-pyridinyl)ethanone;4-(6-methylpyridazin-3-yl)-N-(6-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide;4-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 161909946
N-[[4-(difluoromethyl)phenyl]methyl]-3-[[1-[3-[[3-[(3-methoxy-2-methylphenyl)methylcarbamoyl]anilino]methyl]-4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-4-ium-1-yl]-4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-4-ium-3-yl]methylamino]benzamide
CID 162366106
N-[1-[4-[7-(imidazol-1-ylmethyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2-yl]-6-methoxy-2-methylquinolin-8-yl]piperidin-4-yl]acetamide
CID 167314421
N-[(4-methoxyphenyl)methyl]-4-[4-(3-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)-1-tritylpyrazol-3-yl]benzamide
CID 22031708
N-(5-tert-butyl-2-methoxyphenyl)-3-[4-(5-ethyl-1-phenylpyrazol-4-yl)imidazol-1-yl]-4-methylbenzamide;N-(5-tert-butyl-2-methyl-3-pyridinyl)-3-[4-(5-ethyl-1-phenylpyrazol-4-yl)imidazol-1-yl]-4-methylbenzamide
CID 87089560
2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-[4-piperazin-1-yl-6-[2-[4-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]pyrimidin-2-yl]-1,3-dihydroisoindol-5-yl]-3-pyridinyl]pyrimidine-4-carboxamide
CID 143750727

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate?
The IUPAC name of 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate (CID 158236709) is 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate.
What is the SMILES notation for 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate?
The canonical SMILES for 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate is C.CC(C)(C)C(=O)N1CCN(Cc2cccnc2)CC1.CC(C)(C)C(=O)NCCc1ccccc1.CC(C)(C)C(=O)NCCc1ccccc1.CC(C)(C)C(=O)NCCc1ccccn1.CC(C)(C)C(=O)NCCc1ccncc1.CC(C)(C)C(=O)NCc1cccnc1.CC(C)(C)C(=O)Nc1ccccc1.CC(NC(=O)C(C)(C)C)c1ccccc1.CC(c1ccccc1)C(C)(C)C.CCc1ccc(CCNC(=O)C(C)(C)C)cc1.CN1CCC(CNC(=O)C(C)(C)C)CC1.COC(=O)c1cccc(NC(=O)C(C)(C)C)c1.COc1cccc(CCNC(=O)C(C)(C)C)c1.Cc1ccc(CCNC(=O)C(C)(C)C)cc1.Cn1ccc(CNC(=O)C(C)(C)C)n1.Cn1cnc(CNC(=O)C(C)(C)C)c1.
What is the InChIKey of 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate?
The InChIKey is GFBAOXSEPNDOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.C15H23NO.C14H21NO2.C14H21NO.C13H17NO3.3C13H19NO.C12H24N2O.2C12H18N2O.C12H18.C11H16N2O.C11H15NO.2C10H17N3O.CH4/c1-15(2,3)14(19)18-9-7-17(8-10-18)12-13-5-4-6-16-11-13;1-5-12-6-8-13(9-7-12)10-11-16-14(17)15(2,3)4;1-14(2,3)13(16)15-9-8-11-6-5-7-12(10-11)17-4;1-11-5-7-12(8-6-11)9-10-15-13(16)14(2,3)4;1-13(2,3)12(16)14-10-7-5-6-9(8-10)11(15)17-4;1-10(11-8-6-5-7-9-11)14-12(15)13(2,3)4;2*1-13(2,3)12(15)14-10-9-11-7-5-4-6-8-11;1-12(2,3)11(15)13-9-10-5-7-14(4)8-6-10;1-12(2,3)11(15)14-9-6-10-4-7-13-8-5-10;1-12(2,3)11(15)14-9-7-10-6-4-5-8-13-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)10(14)13-8-9-5-4-6-12-7-9;1-11(2,3)10(13)12-9-7-5-4-6-8-9;1-10(2,3)9(14)11-5-8-6-13(4)7-12-8;1-10(2,3)9(14)11-7-8-5-6-13(4)12-8;/h4-6,11H,7-10,12H2,1-3H3;6-9H,5,10-11H2,1-4H3,(H,16,17);5-7,10H,8-9H2,1-4H3,(H,15,16);5-8H,9-10H2,1-4H3,(H,15,16);5-8H,1-4H3,(H,14,16);5-10H,1-4H3,(H,14,15);2*4-8H,9-10H2,1-3H3,(H,14,15);10H,5-9H2,1-4H3,(H,13,15);4-5,7-8H,6,9H2,1-3H3,(H,14,15);4-6,8H,7,9H2,1-3H3,(H,14,15);5-10H,1-4H3;4-7H,8H2,1-3H3,(H,13,14);4-8H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,11,14);5-6H,7H2,1-4H3,(H,11,14);1H4.
What are the key properties of 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate?
3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate has a molecular weight of 3363.84 g/mol, XLogP of 36.09, 39 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutan-2-ylbenzene;2,2-dimethyl-N-[(1-methylimidazol-4-yl)methyl]propanamide;2,2-dimethyl-N-[2-(4-methylphenyl)ethyl]propanamide;2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide;2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide;2,2-dimethyl-N-(1-phenylethyl)propanamide;bis(2,2-dimethyl-N-(2-phenylethyl)propanamide);2,2-dimethyl-N-phenylpropanamide;2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide;2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide;2,2-dimethyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one;2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide;N-[2-(4-ethylphenyl)ethyl]-2,2-dimethylpropanamide;methane;N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanamide;methyl 3-(2,2-dimethylpropanoylamino)benzoate is sourced from PubChem (CID 158236709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).