(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one

C25H25NO2 — CID 24745568

IUPAC(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C25H25NO2/c1-19(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)23-17-24(27)28-25(23)22-15-9-4-10-16-22/h2-16,19,23,25H,17-18H2,1H3/t19-,23+,25-/m0/s1
InChIKeyBIOLHGQBIOJSMW-CYSDGLOUSA-N
MW371.48 g/mol
LogP5.31
Rot. Bonds6

About (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one

(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one (PubChem CID 24745568) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one
PubChem CID24745568
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one
SMILESC[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CC(=O)O[C@H]1c1ccccc1
InChIInChI=1S/C25H25NO2/c1-19(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)23-17-24(27)28-25(23)22-15-9-4-10-16-22/h2-16,19,23,25H,17-18H2,1H3/t19-,23+,25-/m0/s1
InChIKeyBIOLHGQBIOJSMW-CYSDGLOUSA-N
XLogP5.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one?
The IUPAC name of (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one (CID 24745568) is (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one.
What is the SMILES notation for (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one?
The canonical SMILES for (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one is C[C@@H](c1ccccc1)N(Cc1ccccc1)[C@@H]1CC(=O)O[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one?
The InChIKey is BIOLHGQBIOJSMW-CYSDGLOUSA-N. The full InChI is InChI=1S/C25H25NO2/c1-19(21-13-7-3-8-14-21)26(18-20-11-5-2-6-12-20)23-17-24(27)28-25(23)22-15-9-4-10-16-22/h2-16,19,23,25H,17-18H2,1H3/t19-,23+,25-/m0/s1.
What are the key properties of (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one?
(4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one has a molecular weight of 371.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[benzyl-[(1S)-1-phenylethyl]amino]-5-phenyloxolan-2-one is sourced from PubChem (CID 24745568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).