(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide

C19H15NO2 — CID 67704950

IUPAC(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESNC(=O)/C(=C\c1cccc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C19H15NO2/c20-19(22)18(14-8-10-16(21)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,21H,(H2,20,22)/b18-12-
InChIKeyPLKGRLVSMPQOCN-PDGQHHTCSA-N
MW289.33 g/mol
LogP3.57
Rot. Bonds3

About (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide

(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 67704950) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID67704950
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESNC(=O)/C(=C\c1cccc2ccccc12)c1ccc(O)cc1
InChIInChI=1S/C19H15NO2/c20-19(22)18(14-8-10-16(21)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,21H,(H2,20,22)/b18-12-
InChIKeyPLKGRLVSMPQOCN-PDGQHHTCSA-N
XLogP3.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide (CID 67704950) is (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide is NC(=O)/C(=C\c1cccc2ccccc12)c1ccc(O)cc1.
What is the InChIKey of (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is PLKGRLVSMPQOCN-PDGQHHTCSA-N. The full InChI is InChI=1S/C19H15NO2/c20-19(22)18(14-8-10-16(21)11-9-14)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,21H,(H2,20,22)/b18-12-.
What are the key properties of (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide?
(Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 289.33 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 67704950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).