3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide

C13H20N2O — CID 129259489

IUPAC3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
SMILESCC(C)(C)CC(=O)NCCc1ccncc1
InChIInChI=1S/C13H20N2O/c1-13(2,3)10-12(16)15-9-6-11-4-7-14-8-5-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16)
InChIKeyOBLIWLSDVLHEKT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.18
Rot. Bonds4

About 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide

3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide (PubChem CID 129259489) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
PubChem CID129259489
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide
SMILESCC(C)(C)CC(=O)NCCc1ccncc1
InChIInChI=1S/C13H20N2O/c1-13(2,3)10-12(16)15-9-6-11-4-7-14-8-5-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16)
InChIKeyOBLIWLSDVLHEKT-UHFFFAOYSA-N
XLogP2.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
2-hydroxy-N-(2-pyridin-4-ylethyl)acetamide
CID 83816903
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
2-pyridin-4-ylethylcarbamothioic S-acid
CID 115170339
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
3-hydroxy-3-methyl-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 66001214
2-fluoro-N-(2-pyridin-4-ylethyl)propanamide
CID 174360560
2-methyl-2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62821295
2,2-dimethyl-N-(2-phenylethyl)-N'-(pyridin-4-ylmethyl)propanediamide
CID 108963643
4-(3-hydroxy-3-methylbutyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 56910378
3-amino-3-hydroxyimino-2,2-dimethyl-N-(2-pyridin-4-ylethyl)propanamide
CID 76920821

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide (CID 129259489) is 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide is CC(C)(C)CC(=O)NCCc1ccncc1.
What is the InChIKey of 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide?
The InChIKey is OBLIWLSDVLHEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)10-12(16)15-9-6-11-4-7-14-8-5-11/h4-5,7-8H,6,9-10H2,1-3H3,(H,15,16).
What are the key properties of 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide?
3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide has a molecular weight of 220.32 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-pyridin-4-ylethyl)butanamide is sourced from PubChem (CID 129259489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).