N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide

C12H16N2O3 — CID 108503273

IUPACN-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)NC(C)C)c1
InChIInChI=1S/C12H16N2O3/c1-7(2)13-11(16)12(17)14-9-6-8(3)4-5-10(9)15/h4-7,15H,1-3H3,(H,13,16)(H,14,17)
InChIKeyBZCONPXUDAVWLY-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.16
Rot. Bonds2

About N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide

N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide (PubChem CID 108503273) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
PubChem CID108503273
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)NC(C)C)c1
InChIInChI=1S/C12H16N2O3/c1-7(2)13-11(16)12(17)14-9-6-8(3)4-5-10(9)15/h4-7,15H,1-3H3,(H,13,16)(H,14,17)
InChIKeyBZCONPXUDAVWLY-UHFFFAOYSA-N
XLogP1.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.16
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'}

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Related Compounds

N-(2-hydroxyphenyl)-N'-propan-2-yloxamide
CID 108503255
N'-[1-(1-adamantyl)ethyl]-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509078
methyl 3-(2-hydroxy-5-methylanilino)-3-oxopropanoate
CID 53375446
N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522760
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686
2-amino-N-(2-hydroxy-5-methylphenyl)propanamide;hydrochloride
CID 159728581
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
N'-(2,5-dimethylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514348
N-(4-cyanophenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108519420
N'-(2-hydroxy-5-methylphenyl)-N-(6-methyl-2-pyridinyl)oxamide
CID 108522685
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806
N'-(2-hydroxy-5-methylphenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108522705

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide (CID 108503273) is N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide is Cc1ccc(O)c(NC(=O)C(=O)NC(C)C)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide?
The InChIKey is BZCONPXUDAVWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(2)13-11(16)12(17)14-9-6-8(3)4-5-10(9)15/h4-7,15H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide?
N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide has a molecular weight of 236.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 108503273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).