5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine

C205H258N23O14S+ — CID 160522373

IUPAC5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1NC(=O)C1=NC=CC1.CC(C)(C)c1ccccc1NC(=O)c1cc[nH]c1.CC(C)(C)c1ccccc1NC(=O)c1ccoc1.CC(C)(C)c1ccccc1NC(=O)c1ccsc1.CC(C)(C)c1cccnc1.CC(C)C(=O)Nc1ccccc1C(C)(C)C.CC1=NCC(C(=O)Nc2ccccc2C(C)(C)C)=C1.CCn1nc(C)cc1C(=O)Nc1ccccc1C(C)(C)C.C[n+]1ccc(C(=O)Nc2ccccc2C(C)(C)C)[nH]1.Cn1ccc(C(=O)Nc2ccccc2C(C)(C)C)c1.Cn1cccc1C(=O)Nc1ccccc1C(C)(C)C.Cn1ccnc1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H23N3O.3C16H20N2O.C16H18.2C15H19N3O.2C15H18N2O.C15H17NO2.C15H17NOS.C14H21NO.C11H14O2.C9H13N/c1-6-20-15(11-12(2)19-20)16(21)18-14-10-8-7-9-13(14)17(3,4)5;1-16(2,3)12-8-5-6-9-13(12)17-15(19)14-10-7-11-18(14)4;1-11-9-12(10-17-11)15(19)18-14-8-6-5-7-13(14)16(2,3)4;1-16(2,3)13-7-5-6-8-14(13)17-15(19)12-9-10-18(4)11-12;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)11-7-5-6-8-12(11)17-14(19)13-16-9-10-18(13)4;1-15(2,3)11-7-5-6-8-12(11)16-14(19)13-9-10-18(4)17-13;1-15(2,3)11-7-4-5-8-12(11)17-14(18)13-9-6-10-16-13;1-15(2,3)12-6-4-5-7-13(12)17-14(18)11-8-9-16-10-11;2*1-15(2,3)12-6-4-5-7-13(12)16-14(17)11-8-9-18-10-11;1-10(2)13(16)15-12-9-7-6-8-11(12)14(3,4)5;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-5-4-6-10-7-8/h7-11H,6H2,1-5H3,(H,18,21);5-11H,1-4H3,(H,17,19);5-9H,10H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,17,19);4-12H,1-3H3;5-10H,1-4H3,(H,17,19);5-10H,1-4H3,(H,16,19);4-8,10H,9H2,1-3H3,(H,17,18);4-10,16H,1-3H3,(H,17,18);2*4-10H,1-3H3,(H,16,17);6-10H,1-5H3,(H,15,16);4-6H,7H2,1-3H3;4-7H,1-3H3/p+1
InChIKeyBRDHDNAUQIUAPD-UHFFFAOYSA-O
MW3300.53 g/mol
LogP47.89
Rot. Bonds24

About 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine

5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine (PubChem CID 160522373) has the molecular formula C205H258N23O14S+ and a molecular weight of 3300.53 g/mol. Its IUPAC name is 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine.

Molecular Properties

Compound Name5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine
PubChem CID160522373
Molecular FormulaC205H258N23O14S+
Molecular Weight3300.53 g/mol
Exact Mass3297.99
IUPAC Name5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1NC(=O)C1=NC=CC1.CC(C)(C)c1ccccc1NC(=O)c1cc[nH]c1.CC(C)(C)c1ccccc1NC(=O)c1ccoc1.CC(C)(C)c1ccccc1NC(=O)c1ccsc1.CC(C)(C)c1cccnc1.CC(C)C(=O)Nc1ccccc1C(C)(C)C.CC1=NCC(C(=O)Nc2ccccc2C(C)(C)C)=C1.CCn1nc(C)cc1C(=O)Nc1ccccc1C(C)(C)C.C[n+]1ccc(C(=O)Nc2ccccc2C(C)(C)C)[nH]1.Cn1ccc(C(=O)Nc2ccccc2C(C)(C)C)c1.Cn1cccc1C(=O)Nc1ccccc1C(C)(C)C.Cn1ccnc1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C17H23N3O.3C16H20N2O.C16H18.2C15H19N3O.2C15H18N2O.C15H17NO2.C15H17NOS.C14H21NO.C11H14O2.C9H13N/c1-6-20-15(11-12(2)19-20)16(21)18-14-10-8-7-9-13(14)17(3,4)5;1-16(2,3)12-8-5-6-9-13(12)17-15(19)14-10-7-11-18(14)4;1-11-9-12(10-17-11)15(19)18-14-8-6-5-7-13(14)16(2,3)4;1-16(2,3)13-7-5-6-8-14(13)17-15(19)12-9-10-18(4)11-12;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)11-7-5-6-8-12(11)17-14(19)13-16-9-10-18(13)4;1-15(2,3)11-7-5-6-8-12(11)16-14(19)13-9-10-18(4)17-13;1-15(2,3)11-7-4-5-8-12(11)17-14(18)13-9-6-10-16-13;1-15(2,3)12-6-4-5-7-13(12)17-14(18)11-8-9-16-10-11;2*1-15(2,3)12-6-4-5-7-13(12)16-14(17)11-8-9-18-10-11;1-10(2)13(16)15-12-9-7-6-8-11(12)14(3,4)5;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-5-4-6-10-7-8/h7-11H,6H2,1-5H3,(H,18,21);5-11H,1-4H3,(H,17,19);5-9H,10H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,17,19);4-12H,1-3H3;5-10H,1-4H3,(H,17,19);5-10H,1-4H3,(H,16,19);4-8,10H,9H2,1-3H3,(H,17,18);4-10,16H,1-3H3,(H,17,18);2*4-10H,1-3H3,(H,16,17);6-10H,1-5H3,(H,15,16);4-6H,7H2,1-3H3;4-7H,1-3H3/p+1
InChIKeyBRDHDNAUQIUAPD-UHFFFAOYSA-O
XLogP47.89
TPSA470.27 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003300.53
LogP ≤ 547.89
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine with MolForge

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Related Compounds

5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)cyclopenta-1,3-diene-1-carboxamide;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-4-(trifluoromethyl)benzene
CID 160663735
N-tert-butyl-5-methylpyrazine-2-carboxamide;N,N-diethyl-4-methyl-1,3-thiazol-2-amine;2,4-dimethoxy-5-methylpyrimidine;1,2-dimethylimidazole;bis(1,3-dimethylpyrazole);1,2-dimethylpyrrole;2-ethoxy-5-methyl-1,3-thiazole;N-ethyl-5-methylpyrazin-2-amine;2-methoxy-4,6-dimethylpyrimidine;2-methoxy-5-methylpyridine;5-methyl-1,3-benzodioxole;2-methyl-1-benzofuran;2-methylfuran;5-methylpyrazin-2-amine;6-methylpyrazin-2-amine;2-methylpyrazine;5-methylpyrazine-2-carboxamide;5-methyl-1H-pyrazole;4-methylpyridazine;bis(2-methylpyridine);3-methylpyridine;4-methylpyridine;5-methylpyrimidin-2-amine;2-methylpyrimidine;5-methylpyrimidine;8-methylquinoline;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;N,N,5-trimethylpyrazin-2-amine
CID 160264201
(E)-3-(1,3-benzodioxol-5-yl)-N-ethyl-N-(furan-3-ylmethyl)prop-2-enamide;(E)-3-(1,3-benzodioxol-5-yl)-N-pyridin-1-ium-3-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-3-(1,3-benzodioxol-5-yl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(thiophen-2-ylmethyl)prop-2-enamide;(E)-3-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide;trans-(1S,2S)-2-phenyl-N-(1H-pyrazol-4-yl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide;chloride
CID 162291878
bis(4-tert-butylbenzamide);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-4-ethynylbenzene;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indole;6-tert-butyl-2-methyl-1H-benzimidazole;5-tert-butyl-2-methyl-1-benzofuran;6-tert-butyl-1-methylindole;4-(4-tert-butylphenyl)butan-2-one;5-(4-tert-butylphenyl)-1H-1,2,4-triazole
CID 163591997

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine?
The IUPAC name of 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine (CID 160522373) is 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine.
What is the SMILES notation for 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine?
The canonical SMILES for 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine is CC(C)(C)c1ccc(-c2ccccc2)cc1.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1ccccc1NC(=O)C1=NC=CC1.CC(C)(C)c1ccccc1NC(=O)c1cc[nH]c1.CC(C)(C)c1ccccc1NC(=O)c1ccoc1.CC(C)(C)c1ccccc1NC(=O)c1ccsc1.CC(C)(C)c1cccnc1.CC(C)C(=O)Nc1ccccc1C(C)(C)C.CC1=NCC(C(=O)Nc2ccccc2C(C)(C)C)=C1.CCn1nc(C)cc1C(=O)Nc1ccccc1C(C)(C)C.C[n+]1ccc(C(=O)Nc2ccccc2C(C)(C)C)[nH]1.Cn1ccc(C(=O)Nc2ccccc2C(C)(C)C)c1.Cn1cccc1C(=O)Nc1ccccc1C(C)(C)C.Cn1ccnc1C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine?
The InChIKey is BRDHDNAUQIUAPD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N3O.3C16H20N2O.C16H18.2C15H19N3O.2C15H18N2O.C15H17NO2.C15H17NOS.C14H21NO.C11H14O2.C9H13N/c1-6-20-15(11-12(2)19-20)16(21)18-14-10-8-7-9-13(14)17(3,4)5;1-16(2,3)12-8-5-6-9-13(12)17-15(19)14-10-7-11-18(14)4;1-11-9-12(10-17-11)15(19)18-14-8-6-5-7-13(14)16(2,3)4;1-16(2,3)13-7-5-6-8-14(13)17-15(19)12-9-10-18(4)11-12;1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)11-7-5-6-8-12(11)17-14(19)13-16-9-10-18(13)4;1-15(2,3)11-7-5-6-8-12(11)16-14(19)13-9-10-18(4)17-13;1-15(2,3)11-7-4-5-8-12(11)17-14(18)13-9-6-10-16-13;1-15(2,3)12-6-4-5-7-13(12)17-14(18)11-8-9-16-10-11;2*1-15(2,3)12-6-4-5-7-13(12)16-14(17)11-8-9-18-10-11;1-10(2)13(16)15-12-9-7-6-8-11(12)14(3,4)5;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-5-4-6-10-7-8/h7-11H,6H2,1-5H3,(H,18,21);5-11H,1-4H3,(H,17,19);5-9H,10H2,1-4H3,(H,18,19);5-11H,1-4H3,(H,17,19);4-12H,1-3H3;5-10H,1-4H3,(H,17,19);5-10H,1-4H3,(H,16,19);4-8,10H,9H2,1-3H3,(H,17,18);4-10,16H,1-3H3,(H,17,18);2*4-10H,1-3H3,(H,16,17);6-10H,1-5H3,(H,15,16);4-6H,7H2,1-3H3;4-7H,1-3H3/p+1.
What are the key properties of 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine?
5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine has a molecular weight of 3300.53 g/mol, XLogP of 47.89, 24 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-benzodioxole;1-tert-butyl-4-phenylbenzene;N-(2-tert-butylphenyl)-2-ethyl-5-methylpyrazole-3-carboxamide;N-(2-tert-butylphenyl)furan-3-carboxamide;N-(2-tert-butylphenyl)-1-methylimidazole-2-carboxamide;N-(2-tert-butylphenyl)-2-methylpropanamide;N-(2-tert-butylphenyl)-2-methyl-1H-pyrazol-2-ium-5-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-2-carboxamide;N-(2-tert-butylphenyl)-1-methylpyrrole-3-carboxamide;N-(2-tert-butylphenyl)-5-methyl-2H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-1H-pyrrole-3-carboxamide;N-(2-tert-butylphenyl)-3H-pyrrole-2-carboxamide;N-(2-tert-butylphenyl)thiophene-3-carboxamide;3-tert-butylpyridine is sourced from PubChem (CID 160522373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).