N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide

C18H22N2O3 — CID 18941618

IUPACN-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
SMILESCCCCNC(=O)Cn1cccc(OCc2ccccc2)c1=O
InChIInChI=1S/C18H22N2O3/c1-2-3-11-19-17(21)13-20-12-7-10-16(18(20)22)23-14-15-8-5-4-6-9-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,19,21)
InChIKeyJOXNLBQAAZSDSW-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.34
Rot. Bonds8

About N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide

N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide (PubChem CID 18941618) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
PubChem CID18941618
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
SMILESCCCCNC(=O)Cn1cccc(OCc2ccccc2)c1=O
InChIInChI=1S/C18H22N2O3/c1-2-3-11-19-17(21)13-20-12-7-10-16(18(20)22)23-14-15-8-5-4-6-9-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,19,21)
InChIKeyJOXNLBQAAZSDSW-UHFFFAOYSA-N
XLogP2.34
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
N-butyl-2-[(5Z)-2,4-dioxo-5-[(2-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126214237
N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
CID 82150874
N-butyl-2-[4-(2-ethoxyphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917475
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
N-butyl-2-(3-carbamothioyl-2-oxo-1-pyridinyl)acetamide
CID 107017729
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085
2-[2-(1-aminoethyl)pyrrol-1-yl]-N-butylacetamide
CID 79102321
N-butyl-2-phenylmethoxyacetamide
CID 126717674
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
CID 94745934
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide?
The IUPAC name of N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide (CID 18941618) is N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide.
What is the SMILES notation for N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide?
The canonical SMILES for N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide is CCCCNC(=O)Cn1cccc(OCc2ccccc2)c1=O.
What is the InChIKey of N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide?
The InChIKey is JOXNLBQAAZSDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-3-11-19-17(21)13-20-12-7-10-16(18(20)22)23-14-15-8-5-4-6-9-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,19,21).
What are the key properties of N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide?
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide is sourced from PubChem (CID 18941618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).