(2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol

C32H49NO2 — CID 71501284

IUPAC(2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol
SMILESCCCCCCCCCCCCCC[C@@H]1OC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@H]1O
InChIInChI=1S/C32H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-31-32(34)30(27-35-31)33(25-28-20-15-13-16-21-28)26-29-22-17-14-18-23-29/h13-18,20-23,30-32,34H,2-12,19,24-27H2,1H3/t30-,31+,32-/m1/s1
InChIKeyJUMHYKIFAZTVMX-YKILCQELSA-N
MW479.75 g/mol
LogP7.91
Rot. Bonds18

About (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol

(2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol (PubChem CID 71501284) has the molecular formula C32H49NO2 and a molecular weight of 479.75 g/mol. Its IUPAC name is (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol
PubChem CID71501284
Molecular FormulaC32H49NO2
Molecular Weight479.75 g/mol
Exact Mass479.38
IUPAC Name(2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol
SMILESCCCCCCCCCCCCCC[C@@H]1OC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@H]1O
InChIInChI=1S/C32H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-31-32(34)30(27-35-31)33(25-28-20-15-13-16-21-28)26-29-22-17-14-18-23-29/h13-18,20-23,30-32,34H,2-12,19,24-27H2,1H3/t30-,31+,32-/m1/s1
InChIKeyJUMHYKIFAZTVMX-YKILCQELSA-N
XLogP7.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.75
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[Benzyl(2-hydroxyethyl)amino]-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 70331967
1-(Dibenzylamino)-3-[(2-ethylhexyl)oxy]propan-2-ol
CID 155765665
(2S,3S,4R,5R)-5-[[bis[(4-fluorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]oxolan-3-ol
CID 28961248
(2R,3R,4S)-1-benzyl-2-[[(Z)-octadec-9-enoxy]methyl]pyrrolidine-3,4-diol
CID 44238158
3,4-Piperidinediol, 3-methyl-6-phenyl-1-(phenylmethyl)-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051074
(2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol
CID 12016357
(2R,3S)-3-[methyl(2-methylpropyl)amino]-3-(4-methylphenyl)-2-phenylmethoxypropan-1-ol
CID 44583552
(2R,3S,4S,5R)-2-[(benzhydrylamino)methyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 44585382
(2S,3S,4R,5R)-5-[[bis[(4-fluorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol
CID 56774392
(2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
CID 155542296
1-(Cyclohex-3-en-1-ylmethoxy)-3-(dibenzylamino)propan-2-ol
CID 3152613
(2R,3S)-1-(dibenzylamino)-3-fluorooctadecan-2-ol
CID 53343213

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol?
The IUPAC name of (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol (CID 71501284) is (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol?
The canonical SMILES for (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol is CCCCCCCCCCCCCC[C@@H]1OC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@H]1O.
What is the InChIKey of (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol?
The InChIKey is JUMHYKIFAZTVMX-YKILCQELSA-N. The full InChI is InChI=1S/C32H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-31-32(34)30(27-35-31)33(25-28-20-15-13-16-21-28)26-29-22-17-14-18-23-29/h13-18,20-23,30-32,34H,2-12,19,24-27H2,1H3/t30-,31+,32-/m1/s1.
What are the key properties of (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol?
(2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol has a molecular weight of 479.75 g/mol, XLogP of 7.91, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-(dibenzylamino)-2-tetradecyloxolan-3-ol is sourced from PubChem (CID 71501284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).