(E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide

C20H17NO3 — CID 45273912

IUPAC(E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1O
InChIInChI=1S/C20H17NO3/c1-24-19-11-9-14(13-18(19)22)10-12-20(23)21-17-8-4-6-15-5-2-3-7-16(15)17/h2-13,22H,1H3,(H,21,23)/b12-10+
InChIKeyKREVXENGHMWDSK-ZRDIBKRKSA-N
MW319.36 g/mol
LogP4.21
Rot. Bonds4

About (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide

(E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (PubChem CID 45273912) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
PubChem CID45273912
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1O
InChIInChI=1S/C20H17NO3/c1-24-19-11-9-14(13-18(19)22)10-12-20(23)21-17-8-4-6-15-5-2-3-7-16(15)17/h2-13,22H,1H3,(H,21,23)/b12-10+
InChIKeyKREVXENGHMWDSK-ZRDIBKRKSA-N
XLogP4.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (CID 45273912) is (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1O.
What is the InChIKey of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The InChIKey is KREVXENGHMWDSK-ZRDIBKRKSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-19-11-9-14(13-18(19)22)10-12-20(23)21-17-8-4-6-15-5-2-3-7-16(15)17/h2-13,22H,1H3,(H,21,23)/b12-10+.
What are the key properties of (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide has a molecular weight of 319.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxy-4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 45273912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).