N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide

C12H14N2O3 — CID 108522760

IUPACN-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)NC2CC2)c1
InChIInChI=1S/C12H14N2O3/c1-7-2-5-10(15)9(6-7)14-12(17)11(16)13-8-3-4-8/h2,5-6,8,15H,3-4H2,1H3,(H,13,16)(H,14,17)
InChIKeyNFZDQJQLYSUMIH-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.92
Rot. Bonds2

About N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide

N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide (PubChem CID 108522760) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
PubChem CID108522760
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)NC2CC2)c1
InChIInChI=1S/C12H14N2O3/c1-7-2-5-10(15)9(6-7)14-12(17)11(16)13-8-3-4-8/h2,5-6,8,15H,3-4H2,1H3,(H,13,16)(H,14,17)
InChIKeyNFZDQJQLYSUMIH-UHFFFAOYSA-N
XLogP0.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)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-cyclopropyl-N'-(2-hydroxyphenyl)oxamide
CID 108514360
N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
CID 108503273
N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide
CID 75461843
N-(2-hydroxy-5-methylphenyl)cyclopentanecarboxamide
CID 1234653
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108515794
N'-(2,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514348
N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509078
N'-(2-hydroxy-5-methylphenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108522685
N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108519420
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide?
The IUPAC name of N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide (CID 108522760) is N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide?
The canonical SMILES for N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide is Cc1ccc(O)c(NC(=O)C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide?
The InChIKey is NFZDQJQLYSUMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-2-5-10(15)9(6-7)14-12(17)11(16)13-8-3-4-8/h2,5-6,8,15H,3-4H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide?
N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide has a molecular weight of 234.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108522760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).