N'-[(4-methoxyphenyl)methyl]oxamide

C10H12N2O3 — CID 2243752

IUPACN'-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(N)=O)cc1
InChIInChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)6-12-10(14)9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyOLLCXBCTDJRLPG-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.20
Rot. Bonds3

About N'-[(4-methoxyphenyl)methyl]oxamide

N'-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 2243752) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]oxamide
PubChem CID2243752
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN'-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(N)=O)cc1
InChIInChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)6-12-10(14)9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyOLLCXBCTDJRLPG-UHFFFAOYSA-N
XLogP-0.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.20
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

2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
CID 89181014
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
N'-[(4-methoxyphenyl)methyl]-2-methylidenebutanediamide
CID 22185292
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
N'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide
CID 115191824

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]oxamide (CID 2243752) is N'-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(N)=O)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is OLLCXBCTDJRLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)6-12-10(14)9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N'-[(4-methoxyphenyl)methyl]oxamide?
N'-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 208.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 2243752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).