3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide

C25H21NO3 — CID 24950220

IUPAC3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide
SMILESO=C(CCc1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1)Nc1ccccc1
InChIInChI=1S/C25H21NO3/c27-23-10-9-18-14-19(7-8-20(18)15-23)21-12-17(13-24(28)16-21)6-11-25(29)26-22-4-2-1-3-5-22/h1-5,7-10,12-16,27-28H,6,11H2,(H,26,29)
InChIKeyVWXMZUSJANGGMH-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.49
Rot. Bonds5

About 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide

3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide (PubChem CID 24950220) has the molecular formula C25H21NO3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide
PubChem CID24950220
Molecular FormulaC25H21NO3
Molecular Weight383.45 g/mol
Exact Mass383.15
IUPAC Name3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide
SMILESO=C(CCc1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1)Nc1ccccc1
InChIInChI=1S/C25H21NO3/c27-23-10-9-18-14-19(7-8-20(18)15-23)21-12-17(13-24(28)16-21)6-11-25(29)26-22-4-2-1-3-5-22/h1-5,7-10,12-16,27-28H,6,11H2,(H,26,29)
InChIKeyVWXMZUSJANGGMH-UHFFFAOYSA-N
XLogP5.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
CID 11514345
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
carbon dioxide;N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)phenyl]propanamide
CID 163923949
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-(4-hydroxy-3,5-dimethylphenyl)-N-(4-hydroxyphenyl)propanamide
CID 58875625
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]-3-phenylpropanamide
CID 17222822
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide?
The IUPAC name of 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide (CID 24950220) is 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide?
The canonical SMILES for 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide is O=C(CCc1cc(O)cc(-c2ccc3cc(O)ccc3c2)c1)Nc1ccccc1.
What is the InChIKey of 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide?
The InChIKey is VWXMZUSJANGGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO3/c27-23-10-9-18-14-19(7-8-20(18)15-23)21-12-17(13-24(28)16-21)6-11-25(29)26-22-4-2-1-3-5-22/h1-5,7-10,12-16,27-28H,6,11H2,(H,26,29).
What are the key properties of 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide?
3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide has a molecular weight of 383.45 g/mol, XLogP of 5.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-5-(6-hydroxynaphthalen-2-yl)phenyl]-N-phenylpropanamide is sourced from PubChem (CID 24950220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).