(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide

C22H19NO2 — CID 134086602

IUPAC(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H19NO2/c1-2-16-8-4-6-13-20(16)23-22(25)15-14-21(24)19-12-7-10-17-9-3-5-11-18(17)19/h3-15H,2H2,1H3,(H,23,25)/b15-14+
InChIKeyXISNTFMJZDLRED-CCEZHUSRSA-N
MW329.40 g/mol
LogP4.78
Rot. Bonds5

About (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide

(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide (PubChem CID 134086602) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide
PubChem CID134086602
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C/C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H19NO2/c1-2-16-8-4-6-13-20(16)23-22(25)15-14-21(24)19-12-7-10-17-9-3-5-11-18(17)19/h3-15H,2H2,1H3,(H,23,25)/b15-14+
InChIKeyXISNTFMJZDLRED-CCEZHUSRSA-N
XLogP4.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-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

N'-(2-ethylphenyl)but-2-enediamide
CID 131854117
N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
CID 19661535
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
CID 139259985
(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582610
(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582647
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 3637255
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
(E)-N-(2-ethylphenyl)-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108805864
N-(2-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1376965

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide?
The IUPAC name of (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide (CID 134086602) is (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide?
The canonical SMILES for (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide is CCc1ccccc1NC(=O)/C=C/C(=O)c1cccc2ccccc12.
What is the InChIKey of (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide?
The InChIKey is XISNTFMJZDLRED-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H19NO2/c1-2-16-8-4-6-13-20(16)23-22(25)15-14-21(24)19-12-7-10-17-9-3-5-11-18(17)19/h3-15H,2H2,1H3,(H,23,25)/b15-14+.
What are the key properties of (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide?
(E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide has a molecular weight of 329.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylphenyl)-4-naphthalen-1-yl-4-oxobut-2-enamide is sourced from PubChem (CID 134086602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).