tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate

C15H18N2O3 — CID 161271354

IUPACtert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C15H18N2O3/c1-15(2,3)20-14(19)17-9-12(18)11-6-4-5-10-7-8-16-13(10)11/h4-8,16H,9H2,1-3H3,(H,17,19)
InChIKeyVDVYXAFUBMDAFT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.88
Rot. Bonds3

About tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate (PubChem CID 161271354) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate
PubChem CID161271354
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nametert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C15H18N2O3/c1-15(2,3)20-14(19)17-9-12(18)11-6-4-5-10-7-8-16-13(10)11/h4-8,16H,9H2,1-3H3,(H,17,19)
InChIKeyVDVYXAFUBMDAFT-UHFFFAOYSA-N
XLogP2.88
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate (CID 161271354) is tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)c1cccc2cc[nH]c12.
What is the InChIKey of tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate?
The InChIKey is VDVYXAFUBMDAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2,3)20-14(19)17-9-12(18)11-6-4-5-10-7-8-16-13(10)11/h4-8,16H,9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate has a molecular weight of 274.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1H-indol-7-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 161271354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).