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

C27H31NO2 — CID 10476184

IUPAC(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol
SMILESC[C@]1(O)CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H31NO2/c1-27(29)17-18-30-26(27)25(19-22-11-5-2-6-12-22)28(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-16,25-26,29H,17-21H2,1H3/t25-,26-,27-/m0/s1
InChIKeyKGFUGLCOBYTJDU-QKDODKLFSA-N
MW401.55 g/mol
LogP4.84
Rot. Bonds8

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

(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol (PubChem CID 10476184) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol
PubChem CID10476184
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol
SMILESC[C@]1(O)CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H31NO2/c1-27(29)17-18-30-26(27)25(19-22-11-5-2-6-12-22)28(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-16,25-26,29H,17-21H2,1H3/t25-,26-,27-/m0/s1
InChIKeyKGFUGLCOBYTJDU-QKDODKLFSA-N
XLogP4.84
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123659205
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CID 23629604
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CID 50901273
(1R,2S)-1-(dibenzylamino)-3-methyl-1-phenylbutane-2,3-diol
CID 50901274
[(3S,3aR,6S,6aR)-6-[benzyl(dimethyl)azaniumyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-benzyl-dimethylazanium
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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol?
The IUPAC name of (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol (CID 10476184) is (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol.
What is the SMILES notation for (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol?
The canonical SMILES for (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol is C[C@]1(O)CCO[C@H]1[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol?
The InChIKey is KGFUGLCOBYTJDU-QKDODKLFSA-N. The full InChI is InChI=1S/C27H31NO2/c1-27(29)17-18-30-26(27)25(19-22-11-5-2-6-12-22)28(20-23-13-7-3-8-14-23)21-24-15-9-4-10-16-24/h2-16,25-26,29H,17-21H2,1H3/t25-,26-,27-/m0/s1.
What are the key properties of (2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol?
(2S,3S)-2-[(1S)-1-(dibenzylamino)-2-phenylethyl]-3-methyloxolan-3-ol has a molecular weight of 401.55 g/mol, XLogP of 4.84, 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]-3-methyloxolan-3-ol is sourced from PubChem (CID 10476184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).