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

C14H20N2O3 — CID 75536612

IUPACN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C14H20N2O3/c1-16(2)11-9-19-12(13(11)17)8-15-14(18)10-6-4-3-5-7-10/h3-7,11-13,17H,8-9H2,1-2H3,(H,15,18)/t11-,12-,13+/m1/s1
InChIKeyTUUQMOMKXFMWMB-UPJWGTAASA-N
MW264.32 g/mol
LogP0.11
Rot. Bonds4

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

N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide (PubChem CID 75536612) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
PubChem CID75536612
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
SMILESCN(C)[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C14H20N2O3/c1-16(2)11-9-19-12(13(11)17)8-15-14(18)10-6-4-3-5-7-10/h3-7,11-13,17H,8-9H2,1-2H3,(H,15,18)/t11-,12-,13+/m1/s1
InChIKeyTUUQMOMKXFMWMB-UPJWGTAASA-N
XLogP0.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.11
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-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide (CID 75536612) is N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide is CN(C)[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
The InChIKey is TUUQMOMKXFMWMB-UPJWGTAASA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)11-9-19-12(13(11)17)8-15-14(18)10-6-4-3-5-7-10/h3-7,11-13,17H,8-9H2,1-2H3,(H,15,18)/t11-,12-,13+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-4-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide has a molecular weight of 264.32 g/mol, XLogP of 0.11, 4 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-(dimethylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).