tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate

C15H21N3O3 — CID 59727063

IUPACtert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate
SMILESCC(=O)N(C(=O)OC(C)(C)C)C1CCCc2nccnc21
InChIInChI=1S/C15H21N3O3/c1-10(19)18(14(20)21-15(2,3)4)12-7-5-6-11-13(12)17-9-8-16-11/h8-9,12H,5-7H2,1-4H3
InChIKeyNGLMLBBQEFQELQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.64
Rot. Bonds1

About tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate

tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate (PubChem CID 59727063) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate
PubChem CID59727063
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate
SMILESCC(=O)N(C(=O)OC(C)(C)C)C1CCCc2nccnc21
InChIInChI=1S/C15H21N3O3/c1-10(19)18(14(20)21-15(2,3)4)12-7-5-6-11-13(12)17-9-8-16-11/h8-9,12H,5-7H2,1-4H3
InChIKeyNGLMLBBQEFQELQ-UHFFFAOYSA-N
XLogP2.64
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate?
The IUPAC name of tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate (CID 59727063) is tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate?
The canonical SMILES for tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate is CC(=O)N(C(=O)OC(C)(C)C)C1CCCc2nccnc21.
What is the InChIKey of tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate?
The InChIKey is NGLMLBBQEFQELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)18(14(20)21-15(2,3)4)12-7-5-6-11-13(12)17-9-8-16-11/h8-9,12H,5-7H2,1-4H3.
What are the key properties of tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate?
tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate has a molecular weight of 291.35 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-acetyl-N-(5,6,7,8-tetrahydroquinoxalin-5-yl)carbamate is sourced from PubChem (CID 59727063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).