N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide

C26H28N2O3 — CID 75536491

IUPACN-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C26H28N2O3/c29-25-23(19-31-24(25)16-27-26(30)22-14-8-3-9-15-22)28(17-20-10-4-1-5-11-20)18-21-12-6-2-7-13-21/h1-15,23-25,29H,16-19H2,(H,27,30)/t23-,24-,25+/m1/s1
InChIKeyPREUIJRBLMJWBH-SDHSZQHLSA-N
MW416.52 g/mol
LogP3.25
Rot. Bonds8

About N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide

N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 75536491) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
PubChem CID75536491
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1OC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H]1O)c1ccccc1
InChIInChI=1S/C26H28N2O3/c29-25-23(19-31-24(25)16-27-26(30)22-14-8-3-9-15-22)28(17-20-10-4-1-5-11-20)18-21-12-6-2-7-13-21/h1-15,23-25,29H,16-19H2,(H,27,30)/t23-,24-,25+/m1/s1
InChIKeyPREUIJRBLMJWBH-SDHSZQHLSA-N
XLogP3.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide (CID 75536491) is N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1OC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H]1O)c1ccccc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is PREUIJRBLMJWBH-SDHSZQHLSA-N. The full InChI is InChI=1S/C26H28N2O3/c29-25-23(19-31-24(25)16-27-26(30)22-14-8-3-9-15-22)28(17-20-10-4-1-5-11-20)18-21-12-6-2-7-13-21/h1-15,23-25,29H,16-19H2,(H,27,30)/t23-,24-,25+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(dibenzylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).