N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide

C16H16N2O3 — CID 108514233

IUPACN'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1O
InChIInChI=1S/C16H16N2O3/c1-18(11-12-7-3-2-4-8-12)16(21)15(20)17-13-9-5-6-10-14(13)19/h2-10,19H,11H2,1H3,(H,17,20)
InChIKeyDAYGFFYQRJOSEZ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.99
Rot. Bonds3

About N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide

N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide (PubChem CID 108514233) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
PubChem CID108514233
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1O
InChIInChI=1S/C16H16N2O3/c1-18(11-12-7-3-2-4-8-12)16(21)15(20)17-13-9-5-6-10-14(13)19/h2-10,19H,11H2,1H3,(H,17,20)
InChIKeyDAYGFFYQRJOSEZ-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
CID 108509276
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
CID 87039893
N'-benzyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-methyloxamide
CID 108984887
dimethyl 2-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108518763
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108518797
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
N'-benzyl-N'-methyl-N-prop-2-enyloxamide
CID 108518780
N'-benzyl-N'-methyl-N-(4-methyl-2-pyridinyl)oxamide
CID 108518877

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide?
The IUPAC name of N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide (CID 108514233) is N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide.
What is the SMILES notation for N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide?
The canonical SMILES for N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide is CN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1O.
What is the InChIKey of N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide?
The InChIKey is DAYGFFYQRJOSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-18(11-12-7-3-2-4-8-12)16(21)15(20)17-13-9-5-6-10-14(13)19/h2-10,19H,11H2,1H3,(H,17,20).
What are the key properties of N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide?
N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide has a molecular weight of 284.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide is sourced from PubChem (CID 108514233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).