(5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one

C26H27NO2 — CID 11760826

IUPAC(5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one
SMILESO=C1CC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C26H27NO2/c28-26-17-16-25(29-26)24(18-21-10-4-1-5-11-21)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2/t24-,25-/m0/s1
InChIKeyRPMDYABWIUNRSV-DQEYMECFSA-N
MW385.51 g/mol
LogP5.01
Rot. Bonds8

About (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one

(5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one (PubChem CID 11760826) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one
PubChem CID11760826
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one
SMILESO=C1CC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/C26H27NO2/c28-26-17-16-25(29-26)24(18-21-10-4-1-5-11-21)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2/t24-,25-/m0/s1
InChIKeyRPMDYABWIUNRSV-DQEYMECFSA-N
XLogP5.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one (CID 11760826) is (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one is O=C1CC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1.
What is the InChIKey of (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one?
The InChIKey is RPMDYABWIUNRSV-DQEYMECFSA-N. The full InChI is InChI=1S/C26H27NO2/c28-26-17-16-25(29-26)24(18-21-10-4-1-5-11-21)27(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24-25H,16-20H2/t24-,25-/m0/s1.
What are the key properties of (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one?
(5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one has a molecular weight of 385.51 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one is sourced from PubChem (CID 11760826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).