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

C20H17NO2 — CID 680988

IUPACN-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C20H17NO2/c1-23-18-12-10-17(11-13-18)21-20(22)14-9-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3,(H,21,22)
InChIKeyCTYWIMOQHUVLGF-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.50
Rot. Bonds4

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

N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 680988) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID680988
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC NameN-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C20H17NO2/c1-23-18-12-10-17(11-13-18)21-20(22)14-9-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3,(H,21,22)
InChIKeyCTYWIMOQHUVLGF-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
(E)-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 6234757
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
methyl 4-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]benzoate
CID 6122361
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 4949998
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
3-naphthalen-1-yl-N-[4-(phenylsulfamoyl)phenyl]prop-2-enamide
CID 5157349
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide (CID 680988) is N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide is COc1ccc(NC(=O)C=Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is CTYWIMOQHUVLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-18-12-10-17(11-13-18)21-20(22)14-9-16-7-4-6-15-5-2-3-8-19(15)16/h2-14H,1H3,(H,21,22).
What are the key properties of N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide?
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 303.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 680988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).