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

C23H23NO2 — CID 44828401

IUPACN-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(C(CC(=O)NCc2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C23H23NO2/c1-17-9-8-14-20(23(17)26)21(19-12-6-3-7-13-19)15-22(25)24-16-18-10-4-2-5-11-18/h2-14,21,26H,15-16H2,1H3,(H,24,25)
InChIKeyVZXOALWLOARDOC-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.54
Rot. Bonds6

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

N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide (PubChem CID 44828401) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
PubChem CID44828401
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(C(CC(=O)NCc2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C23H23NO2/c1-17-9-8-14-20(23(17)26)21(19-12-6-3-7-13-19)15-22(25)24-16-18-10-4-2-5-11-18/h2-14,21,26H,15-16H2,1H3,(H,24,25)
InChIKeyVZXOALWLOARDOC-UHFFFAOYSA-N
XLogP4.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide (CID 44828401) is N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide is Cc1cccc(C(CC(=O)NCc2ccccc2)c2ccccc2)c1O.
What is the InChIKey of N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
The InChIKey is VZXOALWLOARDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-17-9-8-14-20(23(17)26)21(19-12-6-3-7-13-19)15-22(25)24-16-18-10-4-2-5-11-18/h2-14,21,26H,15-16H2,1H3,(H,24,25).
What are the key properties of N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide?
N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide has a molecular weight of 345.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-hydroxy-3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 44828401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).