(E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide

C25H19NO3 — CID 24949869

IUPAC(E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1c(O)ccc2cc(-c3cccc(O)c3)ccc12)Nc1ccccc1
InChIInChI=1S/C25H19NO3/c27-21-8-4-5-17(16-21)18-9-11-22-19(15-18)10-13-24(28)23(22)12-14-25(29)26-20-6-2-1-3-7-20/h1-16,27-28H,(H,26,29)/b14-12+
InChIKeyBVPTUWLFSHAKDG-WYMLVPIESA-N
MW381.43 g/mol
LogP5.57
Rot. Bonds4

About (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide

(E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide (PubChem CID 24949869) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide
PubChem CID24949869
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name(E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide
SMILESO=C(/C=C/c1c(O)ccc2cc(-c3cccc(O)c3)ccc12)Nc1ccccc1
InChIInChI=1S/C25H19NO3/c27-21-8-4-5-17(16-21)18-9-11-22-19(15-18)10-13-24(28)23(22)12-14-25(29)26-20-6-2-1-3-7-20/h1-16,27-28H,(H,26,29)/b14-12+
InChIKeyBVPTUWLFSHAKDG-WYMLVPIESA-N
XLogP5.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]benzoic acid
CID 25069442
6-(3-hydroxyphenyl)-1-[4-(methylamino)phenyl]naphthalen-2-ol
CID 145481416
(E)-3-[3-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl]-N-phenylprop-2-enamide
CID 59443460
6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
CID 126763631
6-(3-hydroxyphenyl)-1-[4-(methylamino)phenyl]naphthalen-2-ol;4-oxobutanoic acid
CID 145481415
3-(2-chlorophenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 692605
(E)-3-(3-hydroxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 72945216
4-fluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
CID 57384262
3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 11962227
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
(E)-N-(3-hydroxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78783120

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide?
The IUPAC name of (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide (CID 24949869) is (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide?
The canonical SMILES for (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide is O=C(/C=C/c1c(O)ccc2cc(-c3cccc(O)c3)ccc12)Nc1ccccc1.
What is the InChIKey of (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide?
The InChIKey is BVPTUWLFSHAKDG-WYMLVPIESA-N. The full InChI is InChI=1S/C25H19NO3/c27-21-8-4-5-17(16-21)18-9-11-22-19(15-18)10-13-24(28)23(22)12-14-25(29)26-20-6-2-1-3-7-20/h1-16,27-28H,(H,26,29)/b14-12+.
What are the key properties of (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide?
(E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide has a molecular weight of 381.43 g/mol, XLogP of 5.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-phenylprop-2-enamide is sourced from PubChem (CID 24949869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).