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

C112H137Br2N15O17 — CID 158689070

IUPACtert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1ccc2[nH]cc(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c2c1.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1
InChIInChI=1S/2C23H29N3O4.2C22H26BrN3O3.C22H27N3O3/c1-23(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;1-23(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)18-12-24-19-10-9-16(23)11-17(18)19;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;1-22(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/h2*5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);2*4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);4-13,20,23,27H,14-15H2,1-3H3,(H,24,26)
InChIKeyIGCPRSIOCXRMLX-UHFFFAOYSA-N
MW2125.22 g/mol
LogP24.67
Rot. Bonds32

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

tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 158689070) has the molecular formula C112H137Br2N15O17 and a molecular weight of 2125.22 g/mol. Its IUPAC name is tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID158689070
Molecular FormulaC112H137Br2N15O17
Molecular Weight2125.22 g/mol
Exact Mass2121.87
IUPAC Nametert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1ccc2[nH]cc(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c2c1.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1
InChIInChI=1S/2C23H29N3O4.2C22H26BrN3O3.C22H27N3O3/c1-23(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;1-23(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)18-12-24-19-10-9-16(23)11-17(18)19;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;1-22(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/h2*5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);2*4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);4-13,20,23,27H,14-15H2,1-3H3,(H,24,26)
InChIKeyIGCPRSIOCXRMLX-UHFFFAOYSA-N
XLogP24.67
TPSA406.41 Ų
H-Bond Donors15
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002125.22
LogP ≤ 524.67
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate (CID 158689070) is tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)Cc1ccccc1.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccccc12)N(O)Cc1ccccc1.COc1ccc2[nH]cc(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c2c1.COc1ccc2c(C(CNC(=O)OC(C)(C)C)N(O)Cc3ccccc3)c[nH]c2c1.
What is the InChIKey of tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is IGCPRSIOCXRMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H29N3O4.2C22H26BrN3O3.C22H27N3O3/c1-23(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;1-23(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)18-12-24-19-10-9-16(23)11-17(18)19;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;1-22(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/h2*5-13,21,24,28H,14-15H2,1-4H3,(H,25,27);2*4-12,20,24,28H,13-14H2,1-3H3,(H,25,27);4-13,20,23,27H,14-15H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate?
tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 2125.22 g/mol, XLogP of 24.67, 32 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-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-[benzyl(hydroxy)amino]-2-(6-methoxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 158689070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).