tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine

C179H246FN17O11S3 — CID 157058764

About tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine

tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine (PubChem CID 157058764) has the molecular formula C179H246FN17O11S3 and a molecular weight of 2927.24 g/mol. Its IUPAC name is tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine.

Molecular Properties

• Compound Name: tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine
• PubChem CID: 157058764
• Molecular Formula: C179H246FN17O11S3
• Molecular Weight: 2927.24 g/mol
• Exact Mass: 2924.84
• IUPAC Name: tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine
• SMILES: C/C(=C\c1ccccc1)C(C)C.CC(C)(C)OC(=O)n1cc(C(C)(C)C)c2ccccc21.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccc(F)cc1.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)(C)c1cccc(CCS(C)(=O)=O)c1.CC(C)c1ccc(CNS(C)(=O)=O)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc(N)c(OCC2CC2)c1.CCn1cc(C(C)C)cn1.CN(C)c1cccc(C(C)(C)C)c1.Cn1nc(C#N)c2cc(C(C)(C)C)ccc21
• InChI: InChI=1S/C18H18FNO2S.C17H23NO2.C14H19NO.C14H21N.C13H15N3.C13H19NO.C13H20O2S.C12H18N2O.C12H19N.C12H16.C11H14N2.C11H17NO2S.C11H13N.C8H14N2/c1-18(2,3)17-12-13-6-4-5-7-16(13)20(17)23(21,22)15-10-8-14(19)9-11-15;1-16(2,3)13-11-18(15(19)20-17(4,5)6)14-10-8-7-9-12(13)14;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-13(2,3)9-5-6-12-10(7-9)11(8-14)15-16(12)4;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-13(2,3)12-7-5-6-11(10-12)8-9-16(4,14)15;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-10(2)11(3)9-12-7-5-4-6-8-12;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)11-6-4-10(5-7-11)8-12-15(3,13)14;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-4-10-6-8(5-9-10)7(2)3/h4-12H,1-3H3;7-11H,1-6H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;5-7H,1-4H3;3-5,10-11H,6-9H2,1-2H3;5-7,10H,8-9H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);6-9H,1-5H3;4-10H,1-3H3;4-8H,1-3H3;4-7,9,12H,8H2,1-3H3;3-8,12H,1-2H3;5-7H,4H2,1-3H3/b;;;;;;;;;11-9+
• InChIKey: ABBMKNKLYDGXAM-HDAIUXBDSA-N
• XLogP: 42.92
• TPSA: 339.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2927.24
LogP ≤ 5	42.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine?

The IUPAC name of tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine (CID 157058764) is tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine.

What is the SMILES notation for tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine?

The canonical SMILES for tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine is C/C(=C\c1ccccc1)C(C)C.CC(C)(C)OC(=O)n1cc(C(C)(C)C)c2ccccc21.CC(C)(C)c1cc2ccccc2n1S(=O)(=O)c1ccc(F)cc1.CC(C)(C)c1cccc(C(=O)NC2CC2)c1.CC(C)(C)c1cccc(CCS(C)(=O)=O)c1.CC(C)c1ccc(CNS(C)(=O)=O)cc1.CC(C)c1ccc(N2CCCCC2)cc1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc2nn(C)cc12.CC(C)c1cnc(N)c(OCC2CC2)c1.CCn1cc(C(C)C)cn1.CN(C)c1cccc(C(C)(C)C)c1.Cn1nc(C#N)c2cc(C(C)(C)C)ccc21.

What is the InChIKey of tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine?

The InChIKey is ABBMKNKLYDGXAM-HDAIUXBDSA-N. The full InChI is InChI=1S/C18H18FNO2S.C17H23NO2.C14H19NO.C14H21N.C13H15N3.C13H19NO.C13H20O2S.C12H18N2O.C12H19N.C12H16.C11H14N2.C11H17NO2S.C11H13N.C8H14N2/c1-18(2,3)17-12-13-6-4-5-7-16(13)20(17)23(21,22)15-10-8-14(19)9-11-15;1-16(2,3)13-11-18(15(19)20-17(4,5)6)14-10-8-7-9-12(13)14;1-14(2,3)11-6-4-5-10(9-11)13(16)15-12-7-8-12;1-12(2)13-6-8-14(9-7-13)15-10-4-3-5-11-15;1-13(2,3)9-5-6-12-10(7-9)11(8-14)15-16(12)4;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-13(2,3)12-7-5-6-11(10-12)8-9-16(4,14)15;1-8(2)10-5-11(12(13)14-6-10)15-7-9-3-4-9;1-12(2,3)10-7-6-8-11(9-10)13(4)5;1-10(2)11(3)9-12-7-5-4-6-8-12;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)11-6-4-10(5-7-11)8-12-15(3,13)14;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-4-10-6-8(5-9-10)7(2)3/h4-12H,1-3H3;7-11H,1-6H3;4-6,9,12H,7-8H2,1-3H3,(H,15,16);6-9,12H,3-5,10-11H2,1-2H3;5-7H,1-4H3;3-5,10-11H,6-9H2,1-2H3;5-7,10H,8-9H2,1-4H3;5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14);6-9H,1-5H3;4-10H,1-3H3;4-8H,1-3H3;4-7,9,12H,8H2,1-3H3;3-8,12H,1-2H3;5-7H,4H2,1-3H3/b;;;;;;;;;11-9+;;;;.

What are the key properties of tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine?

tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine has a molecular weight of 2927.24 g/mol, XLogP of 42.92, 26 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-tert-butylindole-1-carboxylate;3-tert-butyl-N-cyclopropylbenzamide;3-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1-(4-fluorophenyl)sulfonylindole;5-tert-butyl-1-methylindazole-3-carbonitrile;1-tert-butyl-3-(2-methylsulfonylethyl)benzene;3-(cyclopropylmethoxy)-5-propan-2-ylpyridin-2-amine;[(E)-2,3-dimethylbut-1-enyl]benzene;1-ethyl-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;6-propan-2-yl-1H-indole;N-[(4-propan-2-ylphenyl)methyl]methanesulfonamide;4-(3-propan-2-ylphenyl)morpholine;1-(4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 157058764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).