N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide

C20H18N2O3 — CID 108509276

IUPACN'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C20H18N2O3/c1-22(13-14-7-3-2-4-8-14)20(25)19(24)21-17-11-5-10-16-15(17)9-6-12-18(16)23/h2-12,23H,13H2,1H3,(H,21,24)
InChIKeyFIEOVDZPFPHICA-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.14
Rot. Bonds3

About N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide

N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide (PubChem CID 108509276) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
PubChem CID108509276
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide
SMILESCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c(O)cccc12
InChIInChI=1S/C20H18N2O3/c1-22(13-14-7-3-2-4-8-14)20(25)19(24)21-17-11-5-10-16-15(17)9-6-12-18(16)23/h2-12,23H,13H2,1H3,(H,21,24)
InChIKeyFIEOVDZPFPHICA-UHFFFAOYSA-N
XLogP3.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-(2-hydroxyphenyl)-N'-methyloxamide
CID 108514233
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
CID 87039893
N'-(5-hydroxynaphthalen-1-yl)-N-(2-hydroxyphenyl)oxamide
CID 108509252
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
methyl 4-[[2-[benzyl(methyl)amino]-2-oxoacetyl]amino]benzoate
CID 108518797
N'-butyl-N-(5-hydroxynaphthalen-1-yl)-N'-propyloxamide
CID 108509295
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
N-(4-anilinophenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509324
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide?
The IUPAC name of N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide (CID 108509276) is N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide.
What is the SMILES notation for N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide?
The canonical SMILES for N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide is CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc2c(O)cccc12.
What is the InChIKey of N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide?
The InChIKey is FIEOVDZPFPHICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22(13-14-7-3-2-4-8-14)20(25)19(24)21-17-11-5-10-16-15(17)9-6-12-18(16)23/h2-12,23H,13H2,1H3,(H,21,24).
What are the key properties of N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide?
N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide has a molecular weight of 334.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(5-hydroxynaphthalen-1-yl)-N'-methyloxamide is sourced from PubChem (CID 108509276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).