N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride

C131H172Br2Cl3N19O22 — CID 159539940

About N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride

N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride (PubChem CID 159539940) has the molecular formula C131H172Br2Cl3N19O22 and a molecular weight of 2631.09 g/mol. Its IUPAC name is N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride.

Molecular Properties

• Compound Name: N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride
• PubChem CID: 159539940
• Molecular Formula: C131H172Br2Cl3N19O22
• Molecular Weight: 2631.09 g/mol
• Exact Mass: 2626.04
• IUPAC Name: N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride
• SMILES: CC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Cl)cc12)N(O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)C(=O)OC(C)(C)C.CC(C)CC(c1c[nH]c2ccccc12)N(O)C(=O)OC(C)(C)C.CC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1.COc1ccc2c(C(N)CN)c[nH]c2c1.Cl.Cl
• InChI: InChI=1S/C23H29N3O4.C22H26BrN3O3.C20H28ClN3O5.C20H29N3O5.C18H26N2O3.C17H17BrN2O.C11H15N3O.2ClH/c1-23(2,3)30-22(27)25-14-21(26(28)15-16-8-6-5-7-9-16)19-13-24-20-12-17(29-4)10-11-18(19)20;1-22(2,3)29-21(27)25-13-20(26(28)14-15-7-5-4-6-8-15)18-12-24-19-11-16(23)9-10-17(18)19;1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-8-7-12(21)9-13(14)15;1-19(2,3)27-17(24)22-12-16(23(26)18(25)28-20(4,5)6)14-11-21-15-10-8-7-9-13(14)15;1-12(2)10-16(20(22)17(21)23-18(3,4)5)14-11-19-15-9-7-6-8-13(14)15;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-8-7-14(18)9-15(16)17;1-15-7-2-3-8-9(10(13)5-12)6-14-11(8)4-7;;/h5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);7-10,16,22,27H,11H2,1-6H3,(H,23,25);7-11,16,21,26H,12H2,1-6H3,(H,22,24);6-9,11-12,16,19,22H,10H2,1-5H3;2-10,12,19,21H,11H2,1H3;2-4,6,10,14H,5,12-13H2,1H3;2*1H
• InChIKey: VCKMPINOMOKBEV-UHFFFAOYSA-N
• XLogP: 31.14
• TPSA: 554.07 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 27
• Rotatable Bonds: 32
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2631.09
LogP ≤ 5	31.14
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride?

The IUPAC name of N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride (CID 159539940) is N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride.

What is the SMILES notation for N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride?

The canonical SMILES for N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride is CC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Cl)cc12)N(O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)C(=O)OC(C)(C)C.CC(C)CC(c1c[nH]c2ccccc12)N(O)C(=O)OC(C)(C)C.CC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1.COc1ccc2c(C(N)CN)c[nH]c2c1.Cl.Cl.

What is the InChIKey of N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride?

The InChIKey is VCKMPINOMOKBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4.C22H26BrN3O3.C20H28ClN3O5.C20H29N3O5.C18H26N2O3.C17H17BrN2O.C11H15N3O.2ClH/c1-23(2,3)30-22(27)25-14-21(26(28)15-16-8-6-5-7-9-16)19-13-24-20-12-17(29-4)10-11-18(19)20;1-22(2,3)29-21(27)25-13-20(26(28)14-15-7-5-4-6-8-15)18-12-24-19-11-16(23)9-10-17(18)19;1-19(2,3)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-8-7-12(21)9-13(14)15;1-19(2,3)27-17(24)22-12-16(23(26)18(25)28-20(4,5)6)14-11-21-15-10-8-7-9-13(14)15;1-12(2)10-16(20(22)17(21)23-18(3,4)5)14-11-19-15-9-7-6-8-13(14)15;1-12(20(21)11-13-5-3-2-4-6-13)16-10-19-17-8-7-14(18)9-15(16)17;1-15-7-2-3-8-9(10(13)5-12)6-14-11(8)4-7;;/h5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);7-10,16,22,27H,11H2,1-6H3,(H,23,25);7-11,16,21,26H,12H2,1-6H3,(H,22,24);6-9,11-12,16,19,22H,10H2,1-5H3;2-10,12,19,21H,11H2,1H3;2-4,6,10,14H,5,12-13H2,1H3;2*1H.

What are the key properties of N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride?

N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride has a molecular weight of 2631.09 g/mol, XLogP of 31.14, 32 rotatable bonds, 19 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-3-methylbutyl]carbamate;tert-butyl N-hydroxy-N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;1-(6-methoxy-1H-indol-3-yl)ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 159539940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).