N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide

C22H21NO2 — CID 2902277

IUPACN-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1O)NCc1ccccc1
InChIInChI=1S/C22H21NO2/c24-21-14-8-7-13-19(21)20(18-11-5-2-6-12-18)15-22(25)23-16-17-9-3-1-4-10-17/h1-14,20,24H,15-16H2,(H,23,25)
InChIKeyLECPPUWLQNRGJR-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.23
Rot. Bonds6

About N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide

N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide (PubChem CID 2902277) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide
PubChem CID2902277
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC NameN-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1O)NCc1ccccc1
InChIInChI=1S/C22H21NO2/c24-21-14-8-7-13-19(21)20(18-11-5-2-6-12-18)15-22(25)23-16-17-9-3-1-4-10-17/h1-14,20,24H,15-16H2,(H,23,25)
InChIKeyLECPPUWLQNRGJR-UHFFFAOYSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-((1r,4r)-4-(4-hydroxyphenyl)cyclohexyl)-3-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide (CID 2902277) is N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide?
The InChIKey is LECPPUWLQNRGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c24-21-14-8-7-13-19(21)20(18-11-5-2-6-12-18)15-22(25)23-16-17-9-3-1-4-10-17/h1-14,20,24H,15-16H2,(H,23,25).
What are the key properties of N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide?
N-benzyl-3-(2-hydroxyphenyl)-3-phenylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 4.23, 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-hydroxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2902277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).