N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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

C123H156Br2N18O21 — CID 160975743

IUPACN-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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
SMILESCC(C)(C)OC(=O)NCC(N)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1ccc(/C=[N+](\[O-])C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c(OC)c1.COc1ccc2[nH]cc(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c2c1.COc1ccc2[nH]cc(C(N)CNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C24H30BrN3O5.C23H26BrN3O4.C23H29N3O4.C22H27N3O3.C16H23N3O3.C15H21N3O2/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;1-23(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;1-22(2,3)28-21(26)24-14-20(25(27)15-16-9-5-4-6-10-16)18-13-23-19-12-8-7-11-17(18)19;1-16(2,3)22-15(20)19-9-13(17)12-8-18-14-6-5-10(21-4)7-11(12)14;1-15(2,3)20-14(19)18-9-12(16)11-8-17-13-7-5-4-6-10(11)13/h6-12,21,26,30H,13-14H2,1-5H3,(H,27,29);5-12,14,21,25H,13H2,1-4H3,(H,26,28);5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);4-13,20,23,27H,14-15H2,1-3H3,(H,24,26);5-8,13,18H,9,17H2,1-4H3,(H,19,20);4-8,12,17H,9,16H2,1-3H3,(H,18,19)/b;27-14-;;;;
InChIKeySYVNXVKPLKFEKQ-BUEHOGQYSA-N
MW2382.51 g/mol
LogP25.19
Rot. Bonds34

About N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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

N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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 (PubChem CID 160975743) has the molecular formula C123H156Br2N18O21 and a molecular weight of 2382.51 g/mol. Its IUPAC name is N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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.

Molecular Properties

Compound NameN-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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
PubChem CID160975743
Molecular FormulaC123H156Br2N18O21
Molecular Weight2382.51 g/mol
Exact Mass2379.01
IUPAC NameN-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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
SMILESCC(C)(C)OC(=O)NCC(N)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1ccc(/C=[N+](\[O-])C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c(OC)c1.COc1ccc2[nH]cc(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c2c1.COc1ccc2[nH]cc(C(N)CNC(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C24H30BrN3O5.C23H26BrN3O4.C23H29N3O4.C22H27N3O3.C16H23N3O3.C15H21N3O2/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;1-23(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;1-22(2,3)28-21(26)24-14-20(25(27)15-16-9-5-4-6-10-16)18-13-23-19-12-8-7-11-17(18)19;1-16(2,3)22-15(20)19-9-13(17)12-8-18-14-6-5-10(21-4)7-11(12)14;1-15(2,3)20-14(19)18-9-12(16)11-8-17-13-7-5-4-6-10(11)13/h6-12,21,26,30H,13-14H2,1-5H3,(H,27,29);5-12,14,21,25H,13H2,1-4H3,(H,26,28);5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);4-13,20,23,27H,14-15H2,1-3H3,(H,24,26);5-8,13,18H,9,17H2,1-4H3,(H,19,20);4-8,12,17H,9,16H2,1-3H3,(H,18,19)/b;27-14-;;;;
InChIKeySYVNXVKPLKFEKQ-BUEHOGQYSA-N
XLogP25.19
TPSA519.39 Ų
H-Bond Donors17
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002382.51
LogP ≤ 525.19
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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?
The IUPAC name of N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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 (CID 160975743) is N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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.
What is the SMILES notation for N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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?
The canonical SMILES for N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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 is CC(C)(C)OC(=O)NCC(N)c1c[nH]c2ccccc12.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1ccc(/C=[N+](\[O-])C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)cc1.COc1ccc(CN(O)C(CNC(=O)OC(C)(C)C)c2c[nH]c3ccc(Br)cc23)c(OC)c1.COc1ccc2[nH]cc(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c2c1.COc1ccc2[nH]cc(C(N)CNC(=O)OC(C)(C)C)c2c1.
What is the InChIKey of N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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?
The InChIKey is SYVNXVKPLKFEKQ-BUEHOGQYSA-N. The full InChI is InChI=1S/C24H30BrN3O5.C23H26BrN3O4.C23H29N3O4.C22H27N3O3.C16H23N3O3.C15H21N3O2/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;1-23(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;1-22(2,3)28-21(26)24-14-20(25(27)15-16-9-5-4-6-10-16)18-13-23-19-12-8-7-11-17(18)19;1-16(2,3)22-15(20)19-9-13(17)12-8-18-14-6-5-10(21-4)7-11(12)14;1-15(2,3)20-14(19)18-9-12(16)11-8-17-13-7-5-4-6-10(11)13/h6-12,21,26,30H,13-14H2,1-5H3,(H,27,29);5-12,14,21,25H,13H2,1-4H3,(H,26,28);5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);4-13,20,23,27H,14-15H2,1-3H3,(H,24,26);5-8,13,18H,9,17H2,1-4H3,(H,19,20);4-8,12,17H,9,16H2,1-3H3,(H,18,19)/b;27-14-;;;;.
What are the key properties of N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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?
N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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 has a molecular weight of 2382.51 g/mol, XLogP of 25.19, 34 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-(4-methoxyphenyl)methanimine oxide;tert-butyl N-[2-amino-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate;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 is sourced from PubChem (CID 160975743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).