N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide

C13H24N2O2 — CID 123247018

IUPACN-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCCCCN1CC=CCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,17)12(16)14-8-4-7-11-15-9-5-3-6-10-15/h3,5,17H,4,6-11H2,1-2H3,(H,14,16)
InChIKeyNYRQDXJSNPBGKG-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.92
Rot. Bonds6

About N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide

N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide (PubChem CID 123247018) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide
PubChem CID123247018
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)NCCCCN1CC=CCC1
InChIInChI=1S/C13H24N2O2/c1-13(2,17)12(16)14-8-4-7-11-15-9-5-3-6-10-15/h3,5,17H,4,6-11H2,1-2H3,(H,14,16)
InChIKeyNYRQDXJSNPBGKG-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide (CID 123247018) is N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)NCCCCN1CC=CCC1.
What is the InChIKey of N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is NYRQDXJSNPBGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-13(2,17)12(16)14-8-4-7-11-15-9-5-3-6-10-15/h3,5,17H,4,6-11H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide?
N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 123247018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).