(3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one

C33H33NO2 — CID 54208749

IUPAC(3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one
SMILESO=C1O[C@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C33H33NO2/c35-33-30(21-26-13-5-1-6-14-26)23-32(36-33)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-32H,21-25H2/t30-,31+,32+/m1/s1
InChIKeyPUKOXRSCFYSWSN-RTOKGZNSSA-N
MW475.63 g/mol
LogP6.47
Rot. Bonds10

About (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one

(3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one (PubChem CID 54208749) has the molecular formula C33H33NO2 and a molecular weight of 475.63 g/mol. Its IUPAC name is (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one
PubChem CID54208749
Molecular FormulaC33H33NO2
Molecular Weight475.63 g/mol
Exact Mass475.25
IUPAC Name(3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one
SMILESO=C1O[C@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C33H33NO2/c35-33-30(21-26-13-5-1-6-14-26)23-32(36-33)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-32H,21-25H2/t30-,31+,32+/m1/s1
InChIKeyPUKOXRSCFYSWSN-RTOKGZNSSA-N
XLogP6.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one with MolForge

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Related Compounds

(3S,5R)-3-benzyl-5-hydroxyoxolan-2-one
CID 95735266
3-(benzylsulfanylmethyl)-5-(1-benzylsulfanylpropan-2-yl)oxolan-2-one
CID 19378145
(2S)-2-(dibenzylamino)-2-[(2R)-oxiran-2-yl]ethanol
CID 10968020
methyl (2S,3S)-2-[(1R)-1-(dibenzylamino)-2-phenylethyl]-4-methyl-6-oxo-2,3-dihydropyran-3-carboxylate
CID 100968395
3-benzyl-5-(ethoxymethyl)oxolan-2-one
CID 12815720
N-benzyl-3-chloro-N-[1-(1,4-dioxan-2-yl)-2-phenylethyl]propan-1-amine
CID 57129110
(3R,5S)-5-[(1R)-1-bromo-2-methylpropyl]-3-[(4-methylphenyl)methyl]oxolan-2-one
CID 20601476
(3R,5R)-3,5-dibenzylthiolan-2-one
CID 129383083
tert-butyl N-[(1S)-1-[(2S)-5-oxo-4-[(4-pyridin-2-ylphenyl)methyl]oxolan-2-yl]-2-phenylethyl]carbamate
CID 86598802
tert-butyl N-[(1S)-1-[(2R)-5-oxo-4-[(4-pyridin-2-ylphenyl)methyl]oxolan-2-yl]-2-phenylethyl]carbamate
CID 86599576
2-[1-(dibenzylamino)-2-methylpropyl]-2,3-dihydropyran-6-one
CID 67588476
(3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one
CID 11384471

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one?
The IUPAC name of (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one (CID 54208749) is (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one.
What is the SMILES notation for (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one?
The canonical SMILES for (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one is O=C1O[C@H]([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)C[C@H]1Cc1ccccc1.
What is the InChIKey of (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one?
The InChIKey is PUKOXRSCFYSWSN-RTOKGZNSSA-N. The full InChI is InChI=1S/C33H33NO2/c35-33-30(21-26-13-5-1-6-14-26)23-32(36-33)31(22-27-15-7-2-8-16-27)34(24-28-17-9-3-10-18-28)25-29-19-11-4-12-20-29/h1-20,30-32H,21-25H2/t30-,31+,32+/m1/s1.
What are the key properties of (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one?
(3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one has a molecular weight of 475.63 g/mol, XLogP of 6.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-benzyl-5-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-2-one is sourced from PubChem (CID 54208749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).