N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate

C129H155Br3N16O21 — CID 158771801

About N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate

N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate (PubChem CID 158771801) has the molecular formula C129H155Br3N16O21 and a molecular weight of 2505.46 g/mol. Its IUPAC name is N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate.

Molecular Properties

• Compound Name: N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate
• PubChem CID: 158771801
• Molecular Formula: C129H155Br3N16O21
• Molecular Weight: 2505.46 g/mol
• Exact Mass: 2500.91
• IUPAC Name: N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate
• SMILES: CC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1cc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc(OC)c1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c(OC)c1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc2[nH]cc(C(C)N(O)Cc3ccccc3)c2c1.COc1ccc2[nH]cc(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c2c1
• InChI: InChI=1S/2C24H30BrN3O5.C23H28BrN3O4.C23H29N3O4.C18H20N2O2.C17H18N2O/c1-24(2,3)33-23(29)27-13-21(19-12-26-20-9-7-16(25)10-18(19)20)28(30)14-15-6-8-17(31-4)11-22(15)32-5;1-24(2,3)33-23(29)27-13-22(20-12-26-21-7-6-16(25)10-19(20)21)28(30)14-15-8-17(31-4)11-18(9-15)32-5;1-23(2,3)31-22(28)26-13-21(19-12-25-20-10-7-16(24)11-18(19)20)27(29)14-15-5-8-17(30-4)9-6-15;1-23(2,3)30-22(27)25-14-21(26(28)15-16-8-6-5-7-9-16)19-13-24-20-11-10-17(29-4)12-18(19)20;1-13(20(21)12-14-6-4-3-5-7-14)17-11-19-18-9-8-15(22-2)10-16(17)18;1-13(19(20)12-14-7-3-2-4-8-14)16-11-18-17-10-6-5-9-15(16)17/h6-12,21,26,30H,13-14H2,1-5H3,(H,27,29);6-12,22,26,30H,13-14H2,1-5H3,(H,27,29);5-12,21,25,29H,13-14H2,1-4H3,(H,26,28);5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);3-11,13,19,21H,12H2,1-2H3;2-11,13,18,20H,12H2,1H3
• InChIKey: IPYQKTDNNIXLMG-UHFFFAOYSA-N
• XLogP: 29.09
• TPSA: 453.49 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 27
• Rotatable Bonds: 39
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2505.46
LogP ≤ 5	29.09
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate?

The IUPAC name of N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate (CID 158771801) is N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate.

What is the SMILES notation for N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate?

The canonical SMILES for N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate is CC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1cc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc(OC)c1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c(OC)c1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc2[nH]cc(C(C)N(O)Cc3ccccc3)c2c1.COc1ccc2[nH]cc(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c2c1.

What is the InChIKey of N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate?

The InChIKey is IPYQKTDNNIXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30BrN3O5.C23H28BrN3O4.C23H29N3O4.C18H20N2O2.C17H18N2O/c1-24(2,3)33-23(29)27-13-21(19-12-26-20-9-7-16(25)10-18(19)20)28(30)14-15-6-8-17(31-4)11-22(15)32-5;1-24(2,3)33-23(29)27-13-22(20-12-26-21-7-6-16(25)10-19(20)21)28(30)14-15-8-17(31-4)11-18(9-15)32-5;1-23(2,3)31-22(28)26-13-21(19-12-25-20-10-7-16(24)11-18(19)20)27(29)14-15-5-8-17(30-4)9-6-15;1-23(2,3)30-22(27)25-14-21(26(28)15-16-8-6-5-7-9-16)19-13-24-20-11-10-17(29-4)12-18(19)20;1-13(20(21)12-14-6-4-3-5-7-14)17-11-19-18-9-8-15(22-2)10-16(17)18;1-13(19(20)12-14-7-3-2-4-8-14)16-11-18-17-10-6-5-9-15(16)17/h6-12,21,26,30H,13-14H2,1-5H3,(H,27,29);6-12,22,26,30H,13-14H2,1-5H3,(H,27,29);5-12,21,25,29H,13-14H2,1-4H3,(H,26,28);5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);3-11,13,19,21H,12H2,1-2H3;2-11,13,18,20H,12H2,1H3.

What are the key properties of N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate?

N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate has a molecular weight of 2505.46 g/mol, XLogP of 29.09, 39 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[1-(1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(5-methoxy-1H-indol-3-yl)ethyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(2,4-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[(3,5-dimethoxyphenyl)methyl-hydroxyamino]ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-[hydroxy-[(4-methoxyphenyl)methyl]amino]ethyl]carbamate is sourced from PubChem (CID 158771801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).