[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate

C22H19NO3 — CID 9290194

IUPAC[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate
SMILESC=CCN(C(=O)COC(=O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19NO3/c1-2-15-23(18-11-4-3-5-12-18)21(24)16-26-22(25)20-14-8-10-17-9-6-7-13-19(17)20/h2-14H,1,15-16H2
InChIKeyWXENSMMAXCBZDQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.22
Rot. Bonds6

About [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate

[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate (PubChem CID 9290194) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate
PubChem CID9290194
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate
SMILESC=CCN(C(=O)COC(=O)c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H19NO3/c1-2-15-23(18-11-4-3-5-12-18)21(24)16-26-22(25)20-14-8-10-17-9-6-7-13-19(17)20/h2-14H,1,15-16H2
InChIKeyWXENSMMAXCBZDQ-UHFFFAOYSA-N
XLogP4.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate 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

[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577361
2-naphthalen-1-yloxy-N-phenyl-N-prop-2-enylacetamide
CID 112795612
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825442
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 9074543
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135989
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567365
[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-fluorobenzoate
CID 7863913
[2-oxo-2-(N-prop-2-enylanilino)ethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8569937
methyl 2-[[2-oxo-2-(N-prop-2-enylanilino)ethyl]amino]benzoate
CID 30575321
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 16505428
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 2512971

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate?
The IUPAC name of [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate (CID 9290194) is [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate?
The canonical SMILES for [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate is C=CCN(C(=O)COC(=O)c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate?
The InChIKey is WXENSMMAXCBZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-2-15-23(18-11-4-3-5-12-18)21(24)16-26-22(25)20-14-8-10-17-9-6-7-13-19(17)20/h2-14H,1,15-16H2.
What are the key properties of [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate?
[2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-prop-2-enylanilino)ethyl] naphthalene-1-carboxylate is sourced from PubChem (CID 9290194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).