tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate

C80H113Br2ClN12O20 — CID 158591145

IUPACtert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)C(=O)OC(C)(C)C.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
InChIInChI=1S/2C20H28BrN3O5.C20H28ClN3O5.C20H29N3O5/c1-19(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)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-9-12(21)7-8-13(14)15;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/h3*7-10,16,22,27H,11H2,1-6H3,(H,23,25);7-11,16,21,26H,12H2,1-6H3,(H,22,24)
InChIKeyHULNTQXOPAPZCZ-UHFFFAOYSA-N
MW1758.11 g/mol
LogP19.62
Rot. Bonds16

About tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate

tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate (PubChem CID 158591145) has the molecular formula C80H113Br2ClN12O20 and a molecular weight of 1758.11 g/mol. Its IUPAC name is tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
PubChem CID158591145
Molecular FormulaC80H113Br2ClN12O20
Molecular Weight1758.11 g/mol
Exact Mass1754.62
IUPAC Nametert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)C(=O)OC(C)(C)C.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
InChIInChI=1S/2C20H28BrN3O5.C20H28ClN3O5.C20H29N3O5/c1-19(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)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-9-12(21)7-8-13(14)15;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/h3*7-10,16,22,27H,11H2,1-6H3,(H,23,25);7-11,16,21,26H,12H2,1-6H3,(H,22,24)
InChIKeyHULNTQXOPAPZCZ-UHFFFAOYSA-N
XLogP19.62
TPSA415.56 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.11
LogP ≤ 519.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

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'}

Analyze tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate with MolForge

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Related Compounds

bis(acetonitrile);bis(tert-butyl 6-bromo-3-[(1S,2S)-3-(6-bromo-1H-indol-3-yl)-1-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-1-carboxylate)
CID 168334913
N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate
CID 157713551
5-bromo-N-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole-3-carboxamide;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-5-fluoro-1H-indole-3-carboxamide;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(5-bromo-1H-indole-3-carbonyl)amino]-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(1H-indole-3-carbonylamino)ethyl]carbamate;tert-butyl N-[2-[(5-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
CID 157852735
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(hydroxyamino)-2-(1H-indol-3-yl)ethyl]carbamate
CID 158247136
N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;1-(5-bromo-1H-indol-3-yl)ethane-1,2-diamine;1-(6-bromo-1H-indol-3-yl)ethane-1,2-diamine;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(benzylamino)-2-(1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tetrahydrochloride
CID 158538080
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-chloro-1H-indol-3-yl)-2-[(6-methyl-1H-indole-3-carbonyl)amino]ethyl]carbamate
CID 158962690
tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate;tert-butyl N-[1-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
CID 160548238
tert-butyl N-[2-[(6-bromo-1H-indole-3-carbonyl)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-[(6-chloro-1H-indole-3-carbonyl)amino]-2-(5-chloro-1H-indol-3-yl)ethyl]carbamate
CID 161114985
(Z)-benzylidene-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-hydroxyazanium;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(hydroxyamino)-2-(1H-indol-3-yl)ethyl]carbamate
CID 161222650
N-benzyl-1-(5-bromo-1H-indol-3-yl)ethanamine;N-benzyl-N-[1-(5-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-benzyl-N-[1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;N-[1-(5-bromo-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]hydroxylamine;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-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(5-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate
CID 161458450

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate (CID 158591145) is tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)N(O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NCC(c1c[nH]c2ccc(Br)cc12)N(O)C(=O)OC(C)(C)C.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.
What is the InChIKey of tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?
The InChIKey is HULNTQXOPAPZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H28BrN3O5.C20H28ClN3O5.C20H29N3O5/c1-19(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)28-17(25)23-11-16(24(27)18(26)29-20(4,5)6)14-10-22-15-9-12(21)7-8-13(14)15;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/h3*7-10,16,22,27H,11H2,1-6H3,(H,23,25);7-11,16,21,26H,12H2,1-6H3,(H,22,24).
What are the key properties of tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate?
tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate has a molecular weight of 1758.11 g/mol, XLogP of 19.62, 16 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;tert-butyl N-[1-(6-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-hydroxycarbamate;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)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate is sourced from PubChem (CID 158591145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).