3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide

C16H18N2O2 — CID 107273233

IUPAC3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
SMILESCc1ccc(O)c(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-8-15(19)14(10-11)18-16(20)9-7-12-4-2-3-5-13(12)17/h2-6,8,10,19H,7,9,17H2,1H3,(H,18,20)
InChIKeyAJILMKMCLZFXRV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.85
Rot. Bonds4

About 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide

3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide (PubChem CID 107273233) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
PubChem CID107273233
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide
SMILESCc1ccc(O)c(NC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C16H18N2O2/c1-11-6-8-15(19)14(10-11)18-16(20)9-7-12-4-2-3-5-13(12)17/h2-6,8,10,19H,7,9,17H2,1H3,(H,18,20)
InChIKeyAJILMKMCLZFXRV-UHFFFAOYSA-N
XLogP2.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(2-fluoro-4-methylphenyl)propanamide
CID 43309199
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-(2-aminophenyl)-N-(4-methyl-2-pyridinyl)propanamide
CID 43309208
3-(2-aminophenyl)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 120609694
3-(2-aminophenyl)-N-(2,6-dibromo-4-methylphenyl)propanamide
CID 107272746
N'-hydroxy-N-(2-hydroxy-5-methylphenyl)butanediamide
CID 87750237
3-(2-aminophenyl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 107273103
3-(2-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63670710
N,N'-bis(2-hydroxy-5-methylphenyl)-2-methylpentanediamide
CID 20778624
2-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272931
3-(2-aminophenyl)-N-(2,4-difluorophenyl)propanamide
CID 28714073
3-(2-aminophenyl)-N-(3-bromo-2-hydroxyphenyl)propanamide
CID 107273305

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide (CID 107273233) is 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide is Cc1ccc(O)c(NC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide?
The InChIKey is AJILMKMCLZFXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-6-8-15(19)14(10-11)18-16(20)9-7-12-4-2-3-5-13(12)17/h2-6,8,10,19H,7,9,17H2,1H3,(H,18,20).
What are the key properties of 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide?
3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide has a molecular weight of 270.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-hydroxy-5-methylphenyl)propanamide is sourced from PubChem (CID 107273233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).