N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide

C17H19NO2 — CID 47128848

IUPACN-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-14(10-12)7-9-17(20)18-15-8-6-13(2)11-16(15)19/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
InChIKeyNNVRFOLTUPNITD-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.58
Rot. Bonds4

About N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide

N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide (PubChem CID 47128848) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
PubChem CID47128848
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(C)cc2O)c1
InChIInChI=1S/C17H19NO2/c1-12-4-3-5-14(10-12)7-9-17(20)18-15-8-6-13(2)11-16(15)19/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20)
InChIKeyNNVRFOLTUPNITD-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127122015
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 103479751
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
N-(2-acetylphenyl)-3-(3-methylphenyl)propanamide
CID 60700220
N-(2-hydroxy-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9495575
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240
N-(2-hydroxy-4-methylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180868
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
CID 82881123
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
CID 78965143

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide (CID 47128848) is N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc(C)cc2O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide?
The InChIKey is NNVRFOLTUPNITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-4-3-5-14(10-12)7-9-17(20)18-15-8-6-13(2)11-16(15)19/h3-6,8,10-11,19H,7,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide?
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide has a molecular weight of 269.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 47128848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).