[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate

C19H21NO3 — CID 2391741

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
SMILESCCN(C(=O)COC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-20(17-11-7-4-8-12-17)18(21)15-23-19(22)14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3
InChIKeyFUQTZPBGOIUYMZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.22
Rot. Bonds7

About [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate

[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate (PubChem CID 2391741) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
PubChem CID2391741
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
SMILESCCN(C(=O)COC(=O)CCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-20(17-11-7-4-8-12-17)18(21)15-23-19(22)14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3
InChIKeyFUQTZPBGOIUYMZ-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
[2-(N-ethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 2367156
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40781183
4-[3-(N-ethylanilino)-3-oxopropyl]benzoic acid
CID 82071678
[2-(N-ethylanilino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425464
ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
CID 91744199
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-phenylpropanoate
CID 9016204
ethyl 3-phenylpropanoate;propanal
CID 90891703
N-(3,5-dimethylphenyl)-N-ethyl-3-phenylpropanamide
CID 52574490
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate (CID 2391741) is [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate is CCN(C(=O)COC(=O)CCc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate?
The InChIKey is FUQTZPBGOIUYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-20(17-11-7-4-8-12-17)18(21)15-23-19(22)14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate?
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate has a molecular weight of 311.38 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate is sourced from PubChem (CID 2391741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).