[2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate

C19H23NO2 — CID 3051497

IUPAC[2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate
SMILESCN(C)CC(OC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-20(2)15-18(17-11-7-4-8-12-17)22-19(21)14-13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
InChIKeyLQTRKHHHCNJRLT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.47
Rot. Bonds7

About [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate

[2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate (PubChem CID 3051497) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate
PubChem CID3051497
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate
SMILESCN(C)CC(OC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-20(2)15-18(17-11-7-4-8-12-17)22-19(21)14-13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
InChIKeyLQTRKHHHCNJRLT-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate?
The IUPAC name of [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate (CID 3051497) is [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate?
The canonical SMILES for [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate is CN(C)CC(OC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate?
The InChIKey is LQTRKHHHCNJRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(2)15-18(17-11-7-4-8-12-17)22-19(21)14-13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3.
What are the key properties of [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate?
[2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate has a molecular weight of 297.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-1-phenylethyl] 3-phenylpropanoate is sourced from PubChem (CID 3051497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).