N'-[(3-methoxyphenyl)methyl]-N-methyloxamide

C11H14N2O3 — CID 2206408

IUPACN'-[(3-methoxyphenyl)methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C11H14N2O3/c1-12-10(14)11(15)13-7-8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyBPOHOXZWDJNMAW-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.06
Rot. Bonds3

About N'-[(3-methoxyphenyl)methyl]-N-methyloxamide

N'-[(3-methoxyphenyl)methyl]-N-methyloxamide (PubChem CID 2206408) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N'-[(3-methoxyphenyl)methyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(3-methoxyphenyl)methyl]-N-methyloxamide
PubChem CID2206408
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN'-[(3-methoxyphenyl)methyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C11H14N2O3/c1-12-10(14)11(15)13-7-8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyBPOHOXZWDJNMAW-UHFFFAOYSA-N
XLogP0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.06
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'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
N'-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]oxamide
CID 86856664
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-methoxyphenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144909
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyphenyl)methyl]-N-methyloxamide?
The IUPAC name of N'-[(3-methoxyphenyl)methyl]-N-methyloxamide (CID 2206408) is N'-[(3-methoxyphenyl)methyl]-N-methyloxamide.
What is the SMILES notation for N'-[(3-methoxyphenyl)methyl]-N-methyloxamide?
The canonical SMILES for N'-[(3-methoxyphenyl)methyl]-N-methyloxamide is CNC(=O)C(=O)NCc1cccc(OC)c1.
What is the InChIKey of N'-[(3-methoxyphenyl)methyl]-N-methyloxamide?
The InChIKey is BPOHOXZWDJNMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-12-10(14)11(15)13-7-8-4-3-5-9(6-8)16-2/h3-6H,7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N'-[(3-methoxyphenyl)methyl]-N-methyloxamide?
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide has a molecular weight of 222.24 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyphenyl)methyl]-N-methyloxamide is sourced from PubChem (CID 2206408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).