N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide

C16H17NO2 — CID 882909

IUPACN-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(O)c(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-12-7-9-15(18)14(11-12)17-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11,18H,8,10H2,1H3,(H,17,19)
InChIKeyAWHLTHOHBAGPMY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.27
Rot. Bonds4

About N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide

N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide (PubChem CID 882909) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
PubChem CID882909
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(O)c(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-12-7-9-15(18)14(11-12)17-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11,18H,8,10H2,1H3,(H,17,19)
InChIKeyAWHLTHOHBAGPMY-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide (CID 882909) is N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide is Cc1ccc(O)c(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
The InChIKey is AWHLTHOHBAGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-7-9-15(18)14(11-12)17-16(19)10-8-13-5-3-2-4-6-13/h2-7,9,11,18H,8,10H2,1H3,(H,17,19).
What are the key properties of N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide?
N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide has a molecular weight of 255.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 882909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).