[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate

C23H27NO3 — CID 3053115

IUPAC[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)C1C
InChIInChI=1S/C23H27NO3/c1-3-22(26)27-23(20-12-8-5-9-13-20)15-17-24(18(23)2)16-14-21(25)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3
InChIKeyAFOFEMOYGJIMMY-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.20
Rot. Bonds7

About [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate

[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate (PubChem CID 3053115) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate.

Molecular Properties

Compound Name[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate
PubChem CID3053115
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate
SMILESCCC(=O)OC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)C1C
InChIInChI=1S/C23H27NO3/c1-3-22(26)27-23(20-12-8-5-9-13-20)15-17-24(18(23)2)16-14-21(25)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3
InChIKeyAFOFEMOYGJIMMY-UHFFFAOYSA-N
XLogP4.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate?
The IUPAC name of [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate (CID 3053115) is [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate.
What is the SMILES notation for [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate?
The canonical SMILES for [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate is CCC(=O)OC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)C1C.
What is the InChIKey of [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate?
The InChIKey is AFOFEMOYGJIMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-3-22(26)27-23(20-12-8-5-9-13-20)15-17-24(18(23)2)16-14-21(25)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3.
What are the key properties of [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate?
[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate has a molecular weight of 365.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate is sourced from PubChem (CID 3053115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).