(3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C16H23NO4 — CID 10402139

IUPAC(3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCN(Cc1ccccc1)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C16H23NO4/c1-16(2)20-14-13(18)12(19-15(14)21-16)10-17(3)9-11-7-5-4-6-8-11/h4-8,12-15,18H,9-10H2,1-3H3/t12-,13+,14-,15-/m1/s1
InChIKeyXIKWDASXQFDQLF-LXTVHRRPSA-N
MW293.36 g/mol
LogP1.36
Rot. Bonds4

About (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

(3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 10402139) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID10402139
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name(3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCN(Cc1ccccc1)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O
InChIInChI=1S/C16H23NO4/c1-16(2)20-14-13(18)12(19-15(14)21-16)10-17(3)9-11-7-5-4-6-8-11/h4-8,12-15,18H,9-10H2,1-3H3/t12-,13+,14-,15-/m1/s1
InChIKeyXIKWDASXQFDQLF-LXTVHRRPSA-N
XLogP1.36
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 10402139) is (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is CN(Cc1ccccc1)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O.
What is the InChIKey of (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is XIKWDASXQFDQLF-LXTVHRRPSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2)20-14-13(18)12(19-15(14)21-16)10-17(3)9-11-7-5-4-6-8-11/h4-8,12-15,18H,9-10H2,1-3H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
(3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 293.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-5-[[benzyl(methyl)amino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 10402139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).