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

C10H12N2O3 — CID 69052749

IUPACN'-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(N)=O)c1
InChIInChI=1S/C10H12N2O3/c1-15-8-4-2-3-7(5-8)6-12-10(14)9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyKXRQKEVWUVUBRS-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.20
Rot. Bonds3

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

N'-[(3-methoxyphenyl)methyl]oxamide (PubChem CID 69052749) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N'-[(3-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(3-methoxyphenyl)methyl]oxamide
PubChem CID69052749
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN'-[(3-methoxyphenyl)methyl]oxamide
SMILESCOc1cccc(CNC(=O)C(N)=O)c1
InChIInChI=1S/C10H12N2O3/c1-15-8-4-2-3-7(5-8)6-12-10(14)9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyKXRQKEVWUVUBRS-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'}

Analyze N'-[(3-methoxyphenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
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
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
1-(2-aminoethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 117235446
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]butanediamide
CID 93345247
3-amino-5,5,5-trifluoro-N-[(3-methoxyphenyl)methyl]-2-oxopentanamide
CID 21259011
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(3-methoxyphenyl)methyl]oxamide (CID 69052749) is N'-[(3-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(3-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(3-methoxyphenyl)methyl]oxamide is COc1cccc(CNC(=O)C(N)=O)c1.
What is the InChIKey of N'-[(3-methoxyphenyl)methyl]oxamide?
The InChIKey is KXRQKEVWUVUBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-8-4-2-3-7(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'-[(3-methoxyphenyl)methyl]oxamide?
N'-[(3-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'-[(3-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 69052749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).