ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate

C20H25NO2 — CID 59859894

IUPACethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N(C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-23-20(22)14-11-18-9-12-19(13-10-18)21(2)16-15-17-7-5-4-6-8-17/h4-10,12-13H,3,11,14-16H2,1-2H3
InChIKeyIHUOEAVVVHVLRS-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.86
Rot. Bonds8

About ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate

ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate (PubChem CID 59859894) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
PubChem CID59859894
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Nameethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(N(C)CCc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-23-20(22)14-11-18-9-12-19(13-10-18)21(2)16-15-17-7-5-4-6-8-17/h4-10,12-13H,3,11,14-16H2,1-2H3
InChIKeyIHUOEAVVVHVLRS-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
CID 91744199
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl 3-phenylpropanoate;propanal
CID 90891703
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
CID 20621418
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 65487426
ethyl 3-[3-(N-methylanilino)propylamino]propanoate
CID 43242647
ethyl 3-(4-acetyl-N-methylanilino)propanoate
CID 62004461
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2391741
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
CID 90146756

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate (CID 59859894) is ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate is CCOC(=O)CCc1ccc(N(C)CCc2ccccc2)cc1.
What is the InChIKey of ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate?
The InChIKey is IHUOEAVVVHVLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-23-20(22)14-11-18-9-12-19(13-10-18)21(2)16-15-17-7-5-4-6-8-17/h4-10,12-13H,3,11,14-16H2,1-2H3.
What are the key properties of ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate?
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate has a molecular weight of 311.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate is sourced from PubChem (CID 59859894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).