(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one

C50H50N2O6 — CID 139091000

IUPAC(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one
SMILESO=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1.O=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/2C25H25NO3/c2*27-25-28-19-24(29-25)23(16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h2*1-15,23-24H,16-19H2/t2*23-,24-/m00/s1
InChIKeyKHZSGJSYURXPCX-LMOWBSTHSA-N
MW774.96 g/mol
LogP9.67
Rot. Bonds16

About (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one

(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one (PubChem CID 139091000) has the molecular formula C50H50N2O6 and a molecular weight of 774.96 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one
PubChem CID139091000
Molecular FormulaC50H50N2O6
Molecular Weight774.96 g/mol
Exact Mass774.37
IUPAC Name(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one
SMILESO=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1.O=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1
InChIInChI=1S/2C25H25NO3/c2*27-25-28-19-24(29-25)23(16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h2*1-15,23-24H,16-19H2/t2*23-,24-/m00/s1
InChIKeyKHZSGJSYURXPCX-LMOWBSTHSA-N
XLogP9.67
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.96
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-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)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one?
The IUPAC name of (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one (CID 139091000) is (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one is O=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1.O=C1OC[C@@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)O1.
What is the InChIKey of (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one?
The InChIKey is KHZSGJSYURXPCX-LMOWBSTHSA-N. The full InChI is InChI=1S/2C25H25NO3/c2*27-25-28-19-24(29-25)23(16-20-10-4-1-5-11-20)26(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h2*1-15,23-24H,16-19H2/t2*23-,24-/m00/s1.
What are the key properties of (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one?
(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one has a molecular weight of 774.96 g/mol, XLogP of 9.67, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 139091000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).