ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate

C20H23NO2 — CID 23652081

IUPACethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccccc1)CN(C)Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-23-20(22)19(14-17-10-6-4-7-11-17)16-21(2)15-18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3/b19-14+
InChIKeyVGFAZSGTCHHDGC-XMHGGMMESA-N
MW309.41 g/mol
LogP3.77
Rot. Bonds7

About ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate

ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate (PubChem CID 23652081) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate
PubChem CID23652081
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Nameethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccccc1)CN(C)Cc1ccccc1
InChIInChI=1S/C20H23NO2/c1-3-23-20(22)19(14-17-10-6-4-7-11-17)16-21(2)15-18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3/b19-14+
InChIKeyVGFAZSGTCHHDGC-XMHGGMMESA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate 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

ethyl (Z)-2-(bromomethyl)-3-phenyl(313C)prop-2-enoate
CID 11369236
ethyl (E)-2-benzyl-3-(4-methylphenyl)prop-2-enoate
CID 15851794
ethyl (Z)-2-(acetyloxymethyl)-3-phenylprop-2-enoate
CID 134918551
methyl (E)-2-[[benzyl(methyl)amino]methyl]but-2-enoate
CID 10799648
ethyl 2-benzylidenedecanoate
CID 70212022
triethyl (E)-4-phenylbut-3-ene-1,1,3-tricarboxylate
CID 12021311
1-O-ethyl 5-O-methyl (2E)-2-benzylidenepentanedioate
CID 102507617
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl (2Z)-2-benzylidene-4-methyl-5-oxohexanoate
CID 177498774
ethyl (E)-2-(diethylamino)-3-phenylprop-2-enoate
CID 6279814
diethyl 2-acetyl-4-benzylidenepentanedioate
CID 71411268
(Z)-2-ethoxycarbonyl-3-phenylprop-2-enoic acid
CID 643851

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate?
The IUPAC name of ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate (CID 23652081) is ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate is CCOC(=O)/C(=C/c1ccccc1)CN(C)Cc1ccccc1.
What is the InChIKey of ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate?
The InChIKey is VGFAZSGTCHHDGC-XMHGGMMESA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-23-20(22)19(14-17-10-6-4-7-11-17)16-21(2)15-18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3/b19-14+.
What are the key properties of ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate?
ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate has a molecular weight of 309.41 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-[[benzyl(methyl)amino]methyl]-3-phenylprop-2-enoate is sourced from PubChem (CID 23652081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).