N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate

C66H73BrN8O9 — CID 160721148

About N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate

N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 160721148) has the molecular formula C66H73BrN8O9 and a molecular weight of 1202.26 g/mol. Its IUPAC name is N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate
• PubChem CID: 160721148
• Molecular Formula: C66H73BrN8O9
• Molecular Weight: 1202.26 g/mol
• Exact Mass: 1200.47
• IUPAC Name: N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate
• SMILES: COc1ccc(CN(O)C(CC(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1.O=[N+]([O-])c1ccc(C(c2c[nH]c3ccccc23)N(O)Cc2ccccc2)cc1
• InChI: InChI=1S/C23H29N3O4.C22H19N3O3.C21H25BrN2O2/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;26-24(15-16-6-2-1-3-7-16)22(17-10-12-18(13-11-17)25(27)28)20-14-23-21-9-5-4-8-19(20)21;1-14(2)10-21(19-12-23-20-9-6-16(22)11-18(19)20)24(25)13-15-4-7-17(26-3)8-5-15/h5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);1-14,22-23,26H,15H2;4-9,11-12,14,21,23,25H,10,13H2,1-3H3
• InChIKey: RTCURQJSIZRVJE-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 217.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1202.26
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate?

The IUPAC name of N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate (CID 160721148) is N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate.

What is the SMILES notation for N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate?

The canonical SMILES for N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate is COc1ccc(CN(O)C(CC(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1.O=[N+]([O-])c1ccc(C(c2c[nH]c3ccccc23)N(O)Cc2ccccc2)cc1.

What is the InChIKey of N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate?

The InChIKey is RTCURQJSIZRVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4.C22H19N3O3.C21H25BrN2O2/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;26-24(15-16-6-2-1-3-7-16)22(17-10-12-18(13-11-17)25(27)28)20-14-23-21-9-5-4-8-19(20)21;1-14(2)10-21(19-12-23-20-9-6-16(22)11-18(19)20)24(25)13-15-4-7-17(26-3)8-5-15/h5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);1-14,22-23,26H,15H2;4-9,11-12,14,21,23,25H,10,13H2,1-3H3.

What are the key properties of N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate?

N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 1202.26 g/mol, XLogP of 15.61, 20 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-[1H-indol-3-yl-(4-nitrophenyl)methyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)-3-methylbutyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 160721148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).