4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one

C213H302N15O18S3+ — CID 161227798

IUPAC4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one
SMILESC=C(N)c1cccc(C(C)(C)C)c1.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(=O)O)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(CNS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1cccc(C(=O)OCC[N+](C)(C)C)c1.CC(C)(C)c1ccccc1.CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.CNS(=O)(=O)c1ccc(C(C)(C)C)c(C)c1.COc1ccc(C(C)(C)C)cc1.Cc1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C16H24N2O.C16H26NO2.C13H17N.2C12H19NO2S.C12H15NO.C12H17NO.C12H15N.C12H17N.C12H16O.C11H14N2.C11H15NO.C11H14O2.2C11H16O.C10H15NO2S.C10H14.C9H13NO/c1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4)10-12-18;1-16(2,3)14-9-7-8-13(12-14)15(18)19-11-10-17(4,5)6;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-9-8-10(16(14,15)13-5)6-7-11(9)12(2,3)4;1-12(2,3)11-7-5-10(6-8-11)9-13-16(4,14)15;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(11)10-6-7/h5-8H,9-12H2,1-4H3;7-9,12H,10-11H2,1-6H3;5-8,14H,1-4H3;6-8,13H,1-5H3;5-8,13H,9H2,1-4H3;4-6H,7H2,1-3H3,(H,13,14);5-8H,1-4H3,(H,13,14);4-8,13H,1-3H3;5-8H,1,13H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3,(H2,12,13);4-7H,1-3H3,(H,12,13);5-8H,1-4H3;4-7,12H,8H2,1-3H3;4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;4-6H,1-3H3,(H,10,11)/q;+1;;;;;;;;;;;;;;;;
InChIKeyUYIVPHQRQWUEHK-UHFFFAOYSA-N
MW3457.05 g/mol
LogP47.34
Rot. Bonds18

About 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one

4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one (PubChem CID 161227798) has the molecular formula C213H302N15O18S3+ and a molecular weight of 3457.05 g/mol. Its IUPAC name is 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one
PubChem CID161227798
Molecular FormulaC213H302N15O18S3+
Molecular Weight3457.05 g/mol
Exact Mass3454.23
IUPAC Name4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one
SMILESC=C(N)c1cccc(C(C)(C)C)c1.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(=O)O)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(CNS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1cccc(C(=O)OCC[N+](C)(C)C)c1.CC(C)(C)c1ccccc1.CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.CNS(=O)(=O)c1ccc(C(C)(C)C)c(C)c1.COc1ccc(C(C)(C)C)cc1.Cc1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C16H24N2O.C16H26NO2.C13H17N.2C12H19NO2S.C12H15NO.C12H17NO.C12H15N.C12H17N.C12H16O.C11H14N2.C11H15NO.C11H14O2.2C11H16O.C10H15NO2S.C10H14.C9H13NO/c1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4)10-12-18;1-16(2,3)14-9-7-8-13(12-14)15(18)19-11-10-17(4,5)6;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-9-8-10(16(14,15)13-5)6-7-11(9)12(2,3)4;1-12(2,3)11-7-5-10(6-8-11)9-13-16(4,14)15;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(11)10-6-7/h5-8H,9-12H2,1-4H3;7-9,12H,10-11H2,1-6H3;5-8,14H,1-4H3;6-8,13H,1-5H3;5-8,13H,9H2,1-4H3;4-6H,7H2,1-3H3,(H,13,14);5-8H,1-4H3,(H,13,14);4-8,13H,1-3H3;5-8H,1,13H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3,(H2,12,13);4-7H,1-3H3,(H,12,13);5-8H,1-4H3;4-7,12H,8H2,1-3H3;4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;4-6H,1-3H3,(H,10,11)/q;+1;;;;;;;;;;;;;;;;
InChIKeyUYIVPHQRQWUEHK-UHFFFAOYSA-N
XLogP47.34
TPSA506.61 Ų
H-Bond Donors13
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003457.05
LogP ≤ 547.34
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one?
The IUPAC name of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one (CID 161227798) is 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one.
What is the SMILES notation for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one?
The canonical SMILES for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one is C=C(N)c1cccc(C(C)(C)C)c1.CC(=O)Nc1cccc(C(C)(C)C)c1.CC(=O)c1cccc(C(C)(C)C)c1.CC(C)(C)c1ccc(=O)[nH]c1.CC(C)(C)c1ccc(C(=O)O)cc1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1ccc(CNS(C)(=O)=O)cc1.CC(C)(C)c1ccc(CO)cc1.CC(C)(C)c1ccc(S(N)(=O)=O)cc1.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1cccc(C(=O)OCC[N+](C)(C)C)c1.CC(C)(C)c1ccccc1.CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1.CNS(=O)(=O)c1ccc(C(C)(C)C)c(C)c1.COc1ccc(C(C)(C)C)cc1.Cc1cc2cc(C(C)(C)C)ccc2[nH]1.
What is the InChIKey of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one?
The InChIKey is UYIVPHQRQWUEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.C16H26NO2.C13H17N.2C12H19NO2S.C12H15NO.C12H17NO.C12H15N.C12H17N.C12H16O.C11H14N2.C11H15NO.C11H14O2.2C11H16O.C10H15NO2S.C10H14.C9H13NO/c1-16(2,3)14-7-5-13(6-8-14)15(19)18-11-9-17(4)10-12-18;1-16(2,3)14-9-7-8-13(12-14)15(18)19-11-10-17(4,5)6;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-9-8-10(16(14,15)13-5)6-7-11(9)12(2,3)4;1-12(2,3)11-7-5-10(6-8-11)9-13-16(4,14)15;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-9(13)10-6-5-7-11(8-10)12(2,3)4;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)10-6-4-9(8-12)5-7-10;1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)7-4-5-8(11)10-6-7/h5-8H,9-12H2,1-4H3;7-9,12H,10-11H2,1-6H3;5-8,14H,1-4H3;6-8,13H,1-5H3;5-8,13H,9H2,1-4H3;4-6H,7H2,1-3H3,(H,13,14);5-8H,1-4H3,(H,13,14);4-8,13H,1-3H3;5-8H,1,13H2,2-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,13);4-7H,1-3H3,(H2,12,13);4-7H,1-3H3,(H,12,13);5-8H,1-4H3;4-7,12H,8H2,1-3H3;4-7H,1-3H3,(H2,11,12,13);4-8H,1-3H3;4-6H,1-3H3,(H,10,11)/q;+1;;;;;;;;;;;;;;;;.
What are the key properties of 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one?
4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one has a molecular weight of 3457.05 g/mol, XLogP of 47.34, 18 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzamide;tert-butylbenzene;4-tert-butylbenzenesulfonamide;4-tert-butylbenzoic acid;2-(3-tert-butylbenzoyl)oxyethyl-trimethylazanium;6-tert-butyl-2,3-dihydroisoindol-1-one;4-tert-butyl-N,3-dimethylbenzenesulfonamide;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;1-tert-butyl-4-methoxybenzene;5-tert-butyl-2-methyl-1H-indole;N-(3-tert-butylphenyl)acetamide;1-(3-tert-butylphenyl)ethanone;1-(3-tert-butylphenyl)ethenamine;(4-tert-butylphenyl)methanol;N-[(4-tert-butylphenyl)methyl]methanesulfonamide;(4-tert-butylphenyl)-(4-methylpiperazin-1-yl)methanone;5-tert-butyl-1H-pyridin-2-one is sourced from PubChem (CID 161227798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).