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

C21H19NO2 — CID 804776

IUPAC(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19NO2/c1-2-24-18-13-10-16(11-14-18)12-15-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,2H2,1H3,(H,22,23)/b15-12+
InChIKeyCELHJCHGOLRYGG-NTCAYCPXSA-N
MW317.39 g/mol
LogP4.89
Rot. Bonds5

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

(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (PubChem CID 804776) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
PubChem CID804776
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1
InChIInChI=1S/C21H19NO2/c1-2-24-18-13-10-16(11-14-18)12-15-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,2H2,1H3,(H,22,23)/b15-12+
InChIKeyCELHJCHGOLRYGG-NTCAYCPXSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.89
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

3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
(E)-3-(4-ethoxyphenyl)-N'-(2-naphthalen-1-ylacetyl)prop-2-enehydrazide
CID 17227282
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)prop-2-enoylamino]benzamide
CID 4941568
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
3-phenyl-N-[5-(3-phenylprop-2-enoylamino)naphthalen-1-yl]prop-2-enamide
CID 3507012
(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552249

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide (CID 804776) is (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2cccc3ccccc23)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
The InChIKey is CELHJCHGOLRYGG-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H19NO2/c1-2-24-18-13-10-16(11-14-18)12-15-21(23)22-20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,2H2,1H3,(H,22,23)/b15-12+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide has a molecular weight of 317.39 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 804776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).