N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide

C13H18N2O3 — CID 115192109

IUPACN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
SMILESCOc1c(C)cc(C)cc1CCNC(=O)C(N)=O
InChIInChI=1S/C13H18N2O3/c1-8-6-9(2)11(18-3)10(7-8)4-5-15-13(17)12(14)16/h6-7H,4-5H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyACQGEUUWTBGSNP-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.46
Rot. Bonds4

About N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide

N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide (PubChem CID 115192109) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
PubChem CID115192109
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
SMILESCOc1c(C)cc(C)cc1CCNC(=O)C(N)=O
InChIInChI=1S/C13H18N2O3/c1-8-6-9(2)11(18-3)10(7-8)4-5-15-13(17)12(14)16/h6-7H,4-5H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyACQGEUUWTBGSNP-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]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

2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955
4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
CID 115163102
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
2-(5-chloro-2-methoxy-3-methylphenyl)ethylurea
CID 115168519
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
3-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115219557
N'-(2-methoxy-3,5-dimethylphenyl)oxamide
CID 115191556
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide?
The IUPAC name of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide (CID 115192109) is N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide is COc1c(C)cc(C)cc1CCNC(=O)C(N)=O.
What is the InChIKey of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide?
The InChIKey is ACQGEUUWTBGSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-6-9(2)11(18-3)10(7-8)4-5-15-13(17)12(14)16/h6-7H,4-5H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide?
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide is sourced from PubChem (CID 115192109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).