ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate

C24H25NO2 — CID 122547646

IUPACethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate
SMILESCCOC(=O)c1ccc(/C=C/CN(C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25NO2/c1-3-27-24(26)21-15-13-19(14-16-21)8-7-17-25(2)18-22-11-6-10-20-9-4-5-12-23(20)22/h4-16H,3,17-18H2,1-2H3/b8-7+
InChIKeyUWMZKQHAVGSPTF-BQYQJAHWSA-N
MW359.47 g/mol
LogP5.16
Rot. Bonds7

About ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate

ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate (PubChem CID 122547646) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate
PubChem CID122547646
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Nameethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate
SMILESCCOC(=O)c1ccc(/C=C/CN(C)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C24H25NO2/c1-3-27-24(26)21-15-13-19(14-16-21)8-7-17-25(2)18-22-11-6-10-20-9-4-5-12-23(20)22/h4-16H,3,17-18H2,1-2H3/b8-7+
InChIKeyUWMZKQHAVGSPTF-BQYQJAHWSA-N
XLogP5.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate 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

3-(4-methoxyphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine
CID 54202558
hydron;(E)-N-methyl-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;chloride
CID 67108133
methyl 4-[(E)-3-[1-benzofuran-3-ylmethyl(methyl)amino]prop-1-enyl]benzoate
CID 134559937
ethyl 2-[methyl(3-phenylprop-2-enyl)amino]acetate
CID 76932222
ethyl 4-[4-(methylamino)but-1-enyl]benzoate
CID 170496854
ethyl 4-[2-(4-methylphenyl)ethenyl]benzoate
CID 176726544
ethyl 4-(4-hydroxypent-1-enyl)benzoate
CID 68918809
(Z)-but-2-enedioic acid;(E)-N,6,6-trimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
CID 170161523
ethyl 4-(3-acetamidoprop-1-enyl)benzoate
CID 169466574
N-(1H-indol-7-ylmethyl)-N-methyl-3-(4-methylphenyl)prop-2-en-1-amine
CID 176731953
ethyl 4-[(E)-3-naphthalen-1-ylprop-2-enoyl]oxybenzoate
CID 6234523
phenyl 4-[(E)-but-1-enyl]benzoate
CID 19373818

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate?
The IUPAC name of ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate (CID 122547646) is ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate.
What is the SMILES notation for ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate?
The canonical SMILES for ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate is CCOC(=O)c1ccc(/C=C/CN(C)Cc2cccc3ccccc23)cc1.
What is the InChIKey of ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate?
The InChIKey is UWMZKQHAVGSPTF-BQYQJAHWSA-N. The full InChI is InChI=1S/C24H25NO2/c1-3-27-24(26)21-15-13-19(14-16-21)8-7-17-25(2)18-22-11-6-10-20-9-4-5-12-23(20)22/h4-16H,3,17-18H2,1-2H3/b8-7+.
What are the key properties of ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate?
ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate has a molecular weight of 359.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(E)-3-[methyl(naphthalen-1-ylmethyl)amino]prop-1-enyl]benzoate is sourced from PubChem (CID 122547646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).