[2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate

C23H27NO3 — CID 118256606

IUPAC[2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OC(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO3/c25-21(16-15-18-9-7-8-10-18)27-22(20-13-5-2-6-14-20)23(26)24-17-19-11-3-1-4-12-19/h1-6,11-14,18,22H,7-10,15-17H2,(H,24,26)
InChIKeyOBTOBGKTOSXRIN-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.56
Rot. Bonds8

About [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate

[2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate (PubChem CID 118256606) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
PubChem CID118256606
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OC(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO3/c25-21(16-15-18-9-7-8-10-18)27-22(20-13-5-2-6-14-20)23(26)24-17-19-11-3-1-4-12-19/h1-6,11-14,18,22H,7-10,15-17H2,(H,24,26)
InChIKeyOBTOBGKTOSXRIN-UHFFFAOYSA-N
XLogP4.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate (CID 118256606) is [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate is O=C(CCC1CCCC1)OC(C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate?
The InChIKey is OBTOBGKTOSXRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c25-21(16-15-18-9-7-8-10-18)27-22(20-13-5-2-6-14-20)23(26)24-17-19-11-3-1-4-12-19/h1-6,11-14,18,22H,7-10,15-17H2,(H,24,26).
What are the key properties of [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate?
[2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate has a molecular weight of 365.47 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxo-1-phenylethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 118256606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).