N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide

C15H22N2O4 — CID 108511949

IUPACN'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-5-6-9-17(2)15(19)14(18)16-12-10-11(20-3)7-8-13(12)21-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyCZOZRNLMUHFDKP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.90
Rot. Bonds6

About N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide

N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide (PubChem CID 108511949) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
PubChem CID108511949
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-5-6-9-17(2)15(19)14(18)16-12-10-11(20-3)7-8-13(12)21-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyCZOZRNLMUHFDKP-UHFFFAOYSA-N
XLogP1.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-butyl-N-(2-methoxy-5-nitrophenyl)-N'-methyloxamide
CID 108528561
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056400
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109125715
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109161559
N-(2,4-dimethoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985621
N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
CID 47334597
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999
N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
CID 54814780

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide?
The IUPAC name of N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide (CID 108511949) is N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide?
The canonical SMILES for N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide is CCCCN(C)C(=O)C(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide?
The InChIKey is CZOZRNLMUHFDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-6-9-17(2)15(19)14(18)16-12-10-11(20-3)7-8-13(12)21-4/h7-8,10H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide?
N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide has a molecular weight of 294.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108511949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).