(2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid

C116H150BBr2F4N15O25 — CID 161396615

About (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid

(2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid (PubChem CID 161396615) has the molecular formula C116H150BBr2F4N15O25 and a molecular weight of 2401.17 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 161396615
• Molecular Formula: C116H150BBr2F4N15O25
• Molecular Weight: 2401.17 g/mol
• Exact Mass: 2397.93
• IUPAC Name: (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1.CNC(=O)[C@@H](N)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CN)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(F)c3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(Br)o1)C1CCCCC1.O=C(O)C(F)(F)F.O=C(O)c1ccc(Br)o1
• InChI: InChI=1S/C27H29FN4O4.C26H35N3O5.C21H27N3O3.C14H19BrN2O3.C12H18BNO4.C9H18N2O.C5H3BrO3.C2HF3O2/c1-29-27(35)24(18-7-3-2-4-8-18)32-26(34)22-11-10-21(36-22)19-9-5-6-17(14-19)16-31-25(33)20-12-13-30-23(28)15-20;1-26(2,3)34-25(32)28-16-17-9-8-12-19(15-17)20-13-14-21(33-20)23(30)29-22(24(31)27-4)18-10-6-5-7-11-18;1-23-21(26)19(15-7-3-2-4-8-15)24-20(25)18-11-10-17(27-18)16-9-5-6-14(12-16)13-22;1-16-14(19)12(9-5-3-2-4-6-9)17-13(18)10-7-8-11(15)20-10;1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17;1-11-9(12)8(10)7-5-3-2-4-6-7;6-4-2-1-3(9-4)5(7)8;3-2(4,5)1(6)7/h5-6,9-15,18,24H,2-4,7-8,16H2,1H3,(H,29,35)(H,31,33)(H,32,34);8-9,12-15,18,22H,5-7,10-11,16H2,1-4H3,(H,27,31)(H,28,32)(H,29,30);5-6,9-12,15,19H,2-4,7-8,13,22H2,1H3,(H,23,26)(H,24,25);7-9,12H,2-6H2,1H3,(H,16,19)(H,17,18);4-7,16-17H,8H2,1-3H3,(H,14,15);7-8H,2-6,10H2,1H3,(H,11,12);1-2H,(H,7,8);(H,6,7)/t24-;22-;19-;12-;;8-;;/m0000.0../s1
• InChIKey: INFUMRZMUHQWGD-CTZSQVRDSA-N
• XLogP: 16.93
• TPSA: 613.35 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.17
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid (CID 161396615) is (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)NCc1cccc(B(O)O)c1.CNC(=O)[C@@H](N)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CN)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3ccnc(F)c3)c2)o1)C1CCCCC1.CNC(=O)[C@@H](NC(=O)c1ccc(Br)o1)C1CCCCC1.O=C(O)C(F)(F)F.O=C(O)c1ccc(Br)o1.

What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid?

The InChIKey is INFUMRZMUHQWGD-CTZSQVRDSA-N. The full InChI is InChI=1S/C27H29FN4O4.C26H35N3O5.C21H27N3O3.C14H19BrN2O3.C12H18BNO4.C9H18N2O.C5H3BrO3.C2HF3O2/c1-29-27(35)24(18-7-3-2-4-8-18)32-26(34)22-11-10-21(36-22)19-9-5-6-17(14-19)16-31-25(33)20-12-13-30-23(28)15-20;1-26(2,3)34-25(32)28-16-17-9-8-12-19(15-17)20-13-14-21(33-20)23(30)29-22(24(31)27-4)18-10-6-5-7-11-18;1-23-21(26)19(15-7-3-2-4-8-15)24-20(25)18-11-10-17(27-18)16-9-5-6-14(12-16)13-22;1-16-14(19)12(9-5-3-2-4-6-9)17-13(18)10-7-8-11(15)20-10;1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17;1-11-9(12)8(10)7-5-3-2-4-6-7;6-4-2-1-3(9-4)5(7)8;3-2(4,5)1(6)7/h5-6,9-15,18,24H,2-4,7-8,16H2,1H3,(H,29,35)(H,31,33)(H,32,34);8-9,12-15,18,22H,5-7,10-11,16H2,1-4H3,(H,27,31)(H,28,32)(H,29,30);5-6,9-12,15,19H,2-4,7-8,13,22H2,1H3,(H,23,26)(H,24,25);7-9,12H,2-6H2,1H3,(H,16,19)(H,17,18);4-7,16-17H,8H2,1-3H3,(H,14,15);7-8H,2-6,10H2,1H3,(H,11,12);1-2H,(H,7,8);(H,6,7)/t24-;22-;19-;12-;;8-;;/m0000.0../s1.

What are the key properties of (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid?

(2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid has a molecular weight of 2401.17 g/mol, XLogP of 16.93, 31 rotatable bonds, 18 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-2-cyclohexyl-N-methylacetamide;5-[3-(aminomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromo-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;5-bromofuran-2-carboxylic acid;tert-butyl N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161396615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).