(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol

C26H29NO2 — CID 10091632

IUPAC(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol
SMILESO[C@H]1CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO2/c28-25-16-17-29-26(25)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/h1-15,24-26,28H,16-20H2/t24-,25-,26-/m0/s1
InChIKeyFKNTWZQQFZUUAR-GSDHBNRESA-N
MW387.52 g/mol
LogP4.45
Rot. Bonds8

About (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol

(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol (PubChem CID 10091632) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol
PubChem CID10091632
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol
SMILESO[C@H]1CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H29NO2/c28-25-16-17-29-26(25)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/h1-15,24-26,28H,16-20H2/t24-,25-,26-/m0/s1
InChIKeyFKNTWZQQFZUUAR-GSDHBNRESA-N
XLogP4.45
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol with MolForge

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Related Compounds

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CID 44238158
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CID 44585382
2-Hydroxymethyl-4-tritylmorpholine
CID 54443030
1,2-Cyclohexanediol, 3-[bis(phenylmethyl)amino]-, (1R,2S,3S)-rel-
CID 78089849
(2S,3S,4S,5R)-4-[benzyl(methyl)amino]-5-[(dimethylamino)methyl]-2-(hydroxymethyl)oxolan-3-ol
CID 28962347
(3R*,4S*)-4-[(2,2-diphenylethyl)(methyl)amino]tetrahydrofuran-3-ol
CID 77081040
5-Fluoro-2-[(tritylamino)methyl]oxolan-3-ol
CID 174947587
N-Diphenylmethyl 2,5-anhydro-2,5-imino-d-glucitol
CID 123659205
(2S,3S)-2-[(1S)-1-(dibenzylamino)ethyl]-3-(1-methoxypropa-1,2-dienyl)oxolan-3-ol
CID 11111672
(2S,3S)-2-(dibenzylamino)-4-methoxy-1-phenylhexa-4,5-dien-3-ol
CID 14965643
(2S,3R)-2-(dibenzylamino)-4-methoxy-1-phenylhexa-4,5-dien-3-ol
CID 14965644
(4R)-4-[(1S)-1-(dibenzylamino)-2-phenylethyl]-1,3-dioxolan-2-one
CID 23629604

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol?
The IUPAC name of (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol (CID 10091632) is (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol.
What is the SMILES notation for (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol?
The canonical SMILES for (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol is O[C@H]1CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol?
The InChIKey is FKNTWZQQFZUUAR-GSDHBNRESA-N. The full InChI is InChI=1S/C26H29NO2/c28-25-16-17-29-26(25)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/h1-15,24-26,28H,16-20H2/t24-,25-,26-/m0/s1.
What are the key properties of (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol?
(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol has a molecular weight of 387.52 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]oxolan-3-ol is sourced from PubChem (CID 10091632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).