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

C15H22N2O2 — CID 47334597

IUPACN'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C15H22N2O2/c1-5-6-9-17(4)15(19)14(18)16-13-10-11(2)7-8-12(13)3/h7-8,10H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyUPVKXBIEHHBCJP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.50
Rot. Bonds4

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

N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide (PubChem CID 47334597) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
PubChem CID47334597
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide
SMILESCCCCN(C)C(=O)C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C15H22N2O2/c1-5-6-9-17(4)15(19)14(18)16-13-10-11(2)7-8-12(13)3/h7-8,10H,5-6,9H2,1-4H3,(H,16,18)
InChIKeyUPVKXBIEHHBCJP-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
CID 108524625
N-[5-(dibutylamino)-2-methylphenyl]acetamide
CID 148976423
N-(2,5-dimethylphenyl)-N'-methyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]oxamide
CID 91662057
N'-butyl-N-(2,5-dimethoxyphenyl)-N'-methyloxamide
CID 108511949
ethyl 2-[[2-[butyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108501865
3-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111120344
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655
2-[acetyl(pentyl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113166745

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide?
The IUPAC name of N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide (CID 47334597) is N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide.
What is the SMILES notation for N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide?
The canonical SMILES for N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide is CCCCN(C)C(=O)C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide?
The InChIKey is UPVKXBIEHHBCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-6-9-17(4)15(19)14(18)16-13-10-11(2)7-8-12(13)3/h7-8,10H,5-6,9H2,1-4H3,(H,16,18).
What are the key properties of N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide?
N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide has a molecular weight of 262.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(2,5-dimethylphenyl)-N'-methyloxamide is sourced from PubChem (CID 47334597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).