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

C20H17NO2 — CID 668259

IUPAC3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H17NO2/c1-23-17-12-9-15(10-13-17)11-14-20(22)21-19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3,(H,21,22)
InChIKeyUJKKAHCQNIKLDA-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.50
Rot. Bonds4

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

3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (PubChem CID 668259) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
PubChem CID668259
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Name3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C20H17NO2/c1-23-17-12-9-15(10-13-17)11-14-20(22)21-19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3,(H,21,22)
InChIKeyUJKKAHCQNIKLDA-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'}

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Related Compounds

(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
CID 55326593
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 30377596
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(2-amino-2-oxoethyl) 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 2593504

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (CID 668259) is 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is COc1ccc(C=CC(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The InChIKey is UJKKAHCQNIKLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-23-17-12-9-15(10-13-17)11-14-20(22)21-19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3,(H,21,22).
What are the key properties of 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
3-(4-methoxyphenyl)-N-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 3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 668259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).