3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea

C17H24N4O — CID 131903776

IUPAC3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea
SMILESCC(C)C(C)(C)NC(=O)N(C)Cc1cnc2ccccc2n1
InChIInChI=1S/C17H24N4O/c1-12(2)17(3,4)20-16(22)21(5)11-13-10-18-14-8-6-7-9-15(14)19-13/h6-10,12H,11H2,1-5H3,(H,20,22)
InChIKeyZFRQYSDKFYAGHK-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.21
Rot. Bonds4

About 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea

3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea (PubChem CID 131903776) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea
PubChem CID131903776
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea
SMILESCC(C)C(C)(C)NC(=O)N(C)Cc1cnc2ccccc2n1
InChIInChI=1S/C17H24N4O/c1-12(2)17(3,4)20-16(22)21(5)11-13-10-18-14-8-6-7-9-15(14)19-13/h6-10,12H,11H2,1-5H3,(H,20,22)
InChIKeyZFRQYSDKFYAGHK-UHFFFAOYSA-N
XLogP3.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea?
The IUPAC name of 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea (CID 131903776) is 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea.
What is the SMILES notation for 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea?
The canonical SMILES for 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea is CC(C)C(C)(C)NC(=O)N(C)Cc1cnc2ccccc2n1.
What is the InChIKey of 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea?
The InChIKey is ZFRQYSDKFYAGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)17(3,4)20-16(22)21(5)11-13-10-18-14-8-6-7-9-15(14)19-13/h6-10,12H,11H2,1-5H3,(H,20,22).
What are the key properties of 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea?
3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea has a molecular weight of 300.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylbutan-2-yl)-1-methyl-1-(quinoxalin-2-ylmethyl)urea is sourced from PubChem (CID 131903776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).