N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide

C15H20N2O3 — CID 47334598

IUPACN-(4-acetylphenyl)-N'-butyl-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-4-5-10-17(3)15(20)14(19)16-13-8-6-12(7-9-13)11(2)18/h6-9H,4-5,10H2,1-3H3,(H,16,19)
InChIKeySCBYHQHOVSABCW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.09
Rot. Bonds5

About N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide

N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide (PubChem CID 47334598) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-butyl-N'-methyloxamide
PubChem CID47334598
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(4-acetylphenyl)-N'-butyl-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-4-5-10-17(3)15(20)14(19)16-13-8-6-12(7-9-13)11(2)18/h6-9H,4-5,10H2,1-3H3,(H,16,19)
InChIKeySCBYHQHOVSABCW-UHFFFAOYSA-N
XLogP2.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N'-methyl-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108528580
3-(4-acetylphenyl)-1-methyl-1-pentylurea
CID 61347403
N'-butyl-N'-methyl-N-(4-sulfamoylphenyl)oxamide
CID 108508773
3-(4-acetylphenyl)-1,1-dipentylthiourea
CID 19653315
N'-butyl-N'-methyl-N-(3-methylsulfanylphenyl)oxamide
CID 47334614
N-(3H-benzimidazol-5-yl)-N'-butyl-N'-methyloxamide
CID 108528510
N'-butyl-N-(1H-indazol-6-yl)-N'-methyloxamide
CID 108528519
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
CID 3329908
N'-(2-hydroxyethyl)-N-(4-hydroxyphenyl)-N'-methyloxamide
CID 108502057
N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
CID 47334597

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide (CID 47334598) is N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide is CCCCN(C)C(=O)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide?
The InChIKey is SCBYHQHOVSABCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-5-10-17(3)15(20)14(19)16-13-8-6-12(7-9-13)11(2)18/h6-9H,4-5,10H2,1-3H3,(H,16,19).
What are the key properties of N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide?
N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide has a molecular weight of 276.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-butyl-N'-methyloxamide is sourced from PubChem (CID 47334598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).