N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide

C14H22N2O4 — CID 82150874

IUPACN-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
SMILESCCCCNC(=O)COc1cccn(CCCO)c1=O
InChIInChI=1S/C14H22N2O4/c1-2-3-7-15-13(18)11-20-12-6-4-8-16(14(12)19)9-5-10-17/h4,6,8,17H,2-3,5,7,9-11H2,1H3,(H,15,18)
InChIKeyRCQMJIZBVQYEMZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.53
Rot. Bonds9

About N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide

N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide (PubChem CID 82150874) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
PubChem CID82150874
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
SMILESCCCCNC(=O)COc1cccn(CCCO)c1=O
InChIInChI=1S/C14H22N2O4/c1-2-3-7-15-13(18)11-20-12-6-4-8-16(14(12)19)9-5-10-17/h4,6,8,17H,2-3,5,7,9-11H2,1H3,(H,15,18)
InChIKeyRCQMJIZBVQYEMZ-UHFFFAOYSA-N
XLogP0.53
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]-N-phenylacetamide
CID 82150868
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
CID 94745934
2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82143796
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide (CID 82150874) is N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide is CCCCNC(=O)COc1cccn(CCCO)c1=O.
What is the InChIKey of N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide?
The InChIKey is RCQMJIZBVQYEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-3-7-15-13(18)11-20-12-6-4-8-16(14(12)19)9-5-10-17/h4,6,8,17H,2-3,5,7,9-11H2,1H3,(H,15,18).
What are the key properties of N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide?
N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 82150874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).