[2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate

C23H21NO4 — CID 5178027

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
SMILESCCOc1ccc(NC(=O)COC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H21NO4/c1-2-27-20-13-11-19(12-14-20)24-22(25)16-28-23(26)15-10-18-8-5-7-17-6-3-4-9-21(17)18/h3-15H,2,16H2,1H3,(H,24,25)
InChIKeyIISLAIWGHKHFRQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.43
Rot. Bonds7

About [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate

[2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate (PubChem CID 5178027) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
PubChem CID5178027
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
SMILESCCOc1ccc(NC(=O)COC(=O)C=Cc2cccc3ccccc23)cc1
InChIInChI=1S/C23H21NO4/c1-2-27-20-13-11-19(12-14-20)24-22(25)16-28-23(26)15-10-18-8-5-7-17-6-3-4-9-21(17)18/h3-15H,2,16H2,1H3,(H,24,25)
InChIKeyIISLAIWGHKHFRQ-UHFFFAOYSA-N
XLogP4.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-ethoxyanilino)-2-oxoethyl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 7882233
[2-(4-methylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 733131
(2-anilino-2-oxoethyl) (E)-3-naphthalen-1-ylprop-2-enoate
CID 733137
[2-(4-ethoxyanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7907650
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
[2-(4-ethylanilino)-2-oxoethyl] 3-(4-ethoxyphenyl)prop-2-enoate
CID 71953242
[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 5057672
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 1193097
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
[2-(3-chloro-2-methylanilino)-2-oxoethyl] (E)-3-naphthalen-1-ylprop-2-enoate
CID 1193113
[2-(4-ethoxyanilino)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 3615906
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate (CID 5178027) is [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate is CCOc1ccc(NC(=O)COC(=O)C=Cc2cccc3ccccc23)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The InChIKey is IISLAIWGHKHFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-2-27-20-13-11-19(12-14-20)24-22(25)16-28-23(26)15-10-18-8-5-7-17-6-3-4-9-21(17)18/h3-15H,2,16H2,1H3,(H,24,25).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
[2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate has a molecular weight of 375.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 5178027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).