N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide

C15H24N2O3 — CID 66179151

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)CCn1ccccc1=O
InChIInChI=1S/C15H24N2O3/c1-12(2)10-15(3,20)11-16-13(18)7-9-17-8-5-4-6-14(17)19/h4-6,8,12,20H,7,9-11H2,1-3H3,(H,16,18)
InChIKeyMPGYLXLWZLQKJX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.15
Rot. Bonds7

About N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 66179151) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID66179151
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)CCn1ccccc1=O
InChIInChI=1S/C15H24N2O3/c1-12(2)10-15(3,20)11-16-13(18)7-9-17-8-5-4-6-14(17)19/h4-6,8,12,20H,7,9-11H2,1-3H3,(H,16,18)
InChIKeyMPGYLXLWZLQKJX-UHFFFAOYSA-N
XLogP1.15
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 66179151) is N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide is CC(C)CC(C)(O)CNC(=O)CCn1ccccc1=O.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is MPGYLXLWZLQKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-12(2)10-15(3,20)11-16-13(18)7-9-17-8-5-4-6-14(17)19/h4-6,8,12,20H,7,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 66179151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).