tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate

C17H21N3O2 — CID 142130299

IUPACtert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate
SMILESCc1cccc(N(C(=O)OC(C)(C)C)c2cncc(C)n2)c1
InChIInChI=1S/C17H21N3O2/c1-12-7-6-8-14(9-12)20(16(21)22-17(3,4)5)15-11-18-10-13(2)19-15/h6-11H,1-5H3
InChIKeyAGKOVIBAZUPUSV-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.17
Rot. Bonds2

About tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate

tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate (PubChem CID 142130299) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate
PubChem CID142130299
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nametert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate
SMILESCc1cccc(N(C(=O)OC(C)(C)C)c2cncc(C)n2)c1
InChIInChI=1S/C17H21N3O2/c1-12-7-6-8-14(9-12)20(16(21)22-17(3,4)5)15-11-18-10-13(2)19-15/h6-11H,1-5H3
InChIKeyAGKOVIBAZUPUSV-UHFFFAOYSA-N
XLogP4.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate (CID 142130299) is tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate is Cc1cccc(N(C(=O)OC(C)(C)C)c2cncc(C)n2)c1.
What is the InChIKey of tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate?
The InChIKey is AGKOVIBAZUPUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-7-6-8-14(9-12)20(16(21)22-17(3,4)5)15-11-18-10-13(2)19-15/h6-11H,1-5H3.
What are the key properties of tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate?
tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate has a molecular weight of 299.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-methylphenyl)-N-(6-methylpyrazin-2-yl)carbamate is sourced from PubChem (CID 142130299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).