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

C19H21NO2 — CID 138980356

IUPACethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccccc1)N(C)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20(2)15-16-10-6-4-7-11-16/h4-14H,3,15H2,1-2H3/b18-14+
InChIKeyTZLNQDKYRHUQHT-NBVRZTHBSA-N
MW295.38 g/mol
LogP3.72
Rot. Bonds6

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

ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate (PubChem CID 138980356) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate
PubChem CID138980356
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Nameethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\c1ccccc1)N(C)Cc1ccccc1
InChIInChI=1S/C19H21NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20(2)15-16-10-6-4-7-11-16/h4-14H,3,15H2,1-2H3/b18-14+
InChIKeyTZLNQDKYRHUQHT-NBVRZTHBSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate (CID 138980356) is ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate is CCOC(=O)/C=C(\c1ccccc1)N(C)Cc1ccccc1.
What is the InChIKey of ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate?
The InChIKey is TZLNQDKYRHUQHT-NBVRZTHBSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20(2)15-16-10-6-4-7-11-16/h4-14H,3,15H2,1-2H3/b18-14+.
What are the key properties of ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate?
ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate has a molecular weight of 295.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[benzyl(methyl)amino]-3-phenylprop-2-enoate is sourced from PubChem (CID 138980356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).