3,3-dimethyl-N-quinoxalin-6-ylbutanamide

C14H17N3O — CID 47254889

IUPAC3,3-dimethyl-N-quinoxalin-6-ylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C14H17N3O/c1-14(2,3)9-13(18)17-10-4-5-11-12(8-10)16-7-6-15-11/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyWBUOTOWLLACSFM-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.00
Rot. Bonds2

About 3,3-dimethyl-N-quinoxalin-6-ylbutanamide

3,3-dimethyl-N-quinoxalin-6-ylbutanamide (PubChem CID 47254889) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3,3-dimethyl-N-quinoxalin-6-ylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-quinoxalin-6-ylbutanamide
PubChem CID47254889
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3,3-dimethyl-N-quinoxalin-6-ylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2nccnc2c1
InChIInChI=1S/C14H17N3O/c1-14(2,3)9-13(18)17-10-4-5-11-12(8-10)16-7-6-15-11/h4-8H,9H2,1-3H3,(H,17,18)
InChIKeyWBUOTOWLLACSFM-UHFFFAOYSA-N
XLogP3.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2,2,3-trimethyl-N-quinoxalin-6-ylbutanamide
CID 65269314
2-(2-methylphenyl)-N-quinoxalin-6-ylacetamide
CID 110723730
(2R)-2-amino-3,3-dimethyl-N-quinoxalin-6-ylbutanamide
CID 103929010
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
5-amino-4-methyl-N-quinoxalin-6-ylpentanamide
CID 82011452
N-(3,4-difluorophenyl)-3,3-dimethylbutanamide
CID 842282
2-(1-methylpyrazol-4-yl)-N-quinoxalin-6-ylacetamide
CID 171706123
3-(4-tert-butylphenyl)-N-quinoxalin-6-ylprop-2-enamide
CID 68870920
2-chloro-N-quinoxalin-6-ylpropanamide
CID 60933766
2-[3,5-bis(trifluoromethyl)phenoxy]-N-quinoxalin-6-ylacetamide
CID 112845789
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
2-(quinoxalin-6-ylcarbamoylamino)propanoic acid
CID 4974593

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-quinoxalin-6-ylbutanamide?
The IUPAC name of 3,3-dimethyl-N-quinoxalin-6-ylbutanamide (CID 47254889) is 3,3-dimethyl-N-quinoxalin-6-ylbutanamide.
What is the SMILES notation for 3,3-dimethyl-N-quinoxalin-6-ylbutanamide?
The canonical SMILES for 3,3-dimethyl-N-quinoxalin-6-ylbutanamide is CC(C)(C)CC(=O)Nc1ccc2nccnc2c1.
What is the InChIKey of 3,3-dimethyl-N-quinoxalin-6-ylbutanamide?
The InChIKey is WBUOTOWLLACSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)9-13(18)17-10-4-5-11-12(8-10)16-7-6-15-11/h4-8H,9H2,1-3H3,(H,17,18).
What are the key properties of 3,3-dimethyl-N-quinoxalin-6-ylbutanamide?
3,3-dimethyl-N-quinoxalin-6-ylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-quinoxalin-6-ylbutanamide is sourced from PubChem (CID 47254889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).