2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane

C17H28N2O2 — CID 142525456

IUPAC2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane
SMILESC=Cc1ccc(NC(=O)OCC(C)C(C)C)nc1C.CC
InChIInChI=1S/C15H22N2O2.C2H6/c1-6-13-7-8-14(16-12(13)5)17-15(18)19-9-11(4)10(2)3;1-2/h6-8,10-11H,1,9H2,2-5H3,(H,16,17,18);1-2H3
InChIKeyCOOUMIMTACIWPX-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.90
Rot. Bonds5

About 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane

2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane (PubChem CID 142525456) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane.

Molecular Properties

Compound Name2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane
PubChem CID142525456
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane
SMILESC=Cc1ccc(NC(=O)OCC(C)C(C)C)nc1C.CC
InChIInChI=1S/C15H22N2O2.C2H6/c1-6-13-7-8-14(16-12(13)5)17-15(18)19-9-11(4)10(2)3;1-2/h6-8,10-11H,1,9H2,2-5H3,(H,16,17,18);1-2H3
InChIKeyCOOUMIMTACIWPX-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane?
The IUPAC name of 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane (CID 142525456) is 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane.
What is the SMILES notation for 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane?
The canonical SMILES for 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane is C=Cc1ccc(NC(=O)OCC(C)C(C)C)nc1C.CC.
What is the InChIKey of 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane?
The InChIKey is COOUMIMTACIWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.C2H6/c1-6-13-7-8-14(16-12(13)5)17-15(18)19-9-11(4)10(2)3;1-2/h6-8,10-11H,1,9H2,2-5H3,(H,16,17,18);1-2H3.
What are the key properties of 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane?
2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane has a molecular weight of 292.42 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate;ethane is sourced from PubChem (CID 142525456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).