tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate

C15H20BrN3O3 — CID 54582768

IUPACtert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NO)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(20)18-8-12(19-21)9-7-17-11-6-4-5-10(16)13(9)11/h4-7,12,17,19,21H,8H2,1-3H3,(H,18,20)
InChIKeyFBRMFEDCACINLR-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.47
Rot. Bonds4

About tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate

tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate (PubChem CID 54582768) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
PubChem CID54582768
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Nametert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NO)c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(20)18-8-12(19-21)9-7-17-11-6-4-5-10(16)13(9)11/h4-7,12,17,19,21H,8H2,1-3H3,(H,18,20)
InChIKeyFBRMFEDCACINLR-UHFFFAOYSA-N
XLogP3.47
TPSA86.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-3-methyl-1H-indole
CID 52987704
4-Bromogramine
CID 11054162
Tert-butyl 4-(1H-indol-3-YL)-5,6-dihydropyridine-1(2H)-carboxylate
CID 16227686
1,1-Dimethylethyl N-1H-indol-3-ylcarbamate
CID 46318263
2-(6-bromo-1H-indol-3-yl)-N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 162652032
tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(1H-indol-3-yl)ethyl]carbamate
CID 15315177
tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate
CID 23584584
tert-butyl N-[2-[benzyl(hydroxy)amino]-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate
CID 25005351
tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
CID 25006459
tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
CID 25006460
N-[2-amino-1-(6-bromo-1H-indol-3-yl)ethyl]hydroxylamine;dihydrochloride
CID 25006836
tert-butyl N-[2-(6-fluoro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
CID 54581810

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate (CID 54582768) is tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NO)c1c[nH]c2cccc(Br)c12.
What is the InChIKey of tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate?
The InChIKey is FBRMFEDCACINLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-15(2,3)22-14(20)18-8-12(19-21)9-7-17-11-6-4-5-10(16)13(9)11/h4-7,12,17,19,21H,8H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate?
tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate has a molecular weight of 370.25 g/mol, XLogP of 3.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate is sourced from PubChem (CID 54582768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).