tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate

C15H20ClN3O3 — CID 54585673

IUPACtert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NO)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H20ClN3O3/c1-15(2,3)22-14(20)18-8-13(19-21)11-7-17-12-6-9(16)4-5-10(11)12/h4-7,13,17,19,21H,8H2,1-3H3,(H,18,20)
InChIKeyNZOWXBHRFSDENJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.37
Rot. Bonds4

About tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate

tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate (PubChem CID 54585673) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
PubChem CID54585673
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Nametert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(NO)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H20ClN3O3/c1-15(2,3)22-14(20)18-8-13(19-21)11-7-17-12-6-9(16)4-5-10(11)12/h4-7,13,17,19,21H,8H2,1-3H3,(H,18,20)
InChIKeyNZOWXBHRFSDENJ-UHFFFAOYSA-N
XLogP3.37
TPSA86.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate (CID 54585673) is tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate is CC(C)(C)OC(=O)NCC(NO)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate?
The InChIKey is NZOWXBHRFSDENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-15(2,3)22-14(20)18-8-13(19-21)11-7-17-12-6-9(16)4-5-10(11)12/h4-7,13,17,19,21H,8H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate?
tert-butyl N-[2-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate has a molecular weight of 325.80 g/mol, XLogP of 3.37, 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-(6-chloro-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate is sourced from PubChem (CID 54585673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).