4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate

C23H31NO2 — CID 3051151

IUPAC4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate
SMILESCCN(CCCCOC(=O)C(C)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C23H31NO2/c1-3-24(18-16-21-12-6-4-7-13-21)17-10-11-19-26-23(25)20(2)22-14-8-5-9-15-22/h4-9,12-15,20H,3,10-11,16-19H2,1-2H3
InChIKeyCCDKGBMSHMDUQT-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.68
Rot. Bonds11

About 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate

4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate (PubChem CID 3051151) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate.

Molecular Properties

Compound Name4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate
PubChem CID3051151
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate
SMILESCCN(CCCCOC(=O)C(C)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C23H31NO2/c1-3-24(18-16-21-12-6-4-7-13-21)17-10-11-19-26-23(25)20(2)22-14-8-5-9-15-22/h4-9,12-15,20H,3,10-11,16-19H2,1-2H3
InChIKeyCCDKGBMSHMDUQT-UHFFFAOYSA-N
XLogP4.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate?
The IUPAC name of 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate (CID 3051151) is 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate.
What is the SMILES notation for 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate?
The canonical SMILES for 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate is CCN(CCCCOC(=O)C(C)c1ccccc1)CCc1ccccc1.
What is the InChIKey of 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate?
The InChIKey is CCDKGBMSHMDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-3-24(18-16-21-12-6-4-7-13-21)17-10-11-19-26-23(25)20(2)22-14-8-5-9-15-22/h4-9,12-15,20H,3,10-11,16-19H2,1-2H3.
What are the key properties of 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate?
4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate has a molecular weight of 353.51 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-phenylethyl)amino]butyl 2-phenylpropanoate is sourced from PubChem (CID 3051151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).