4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline

C24H25NO2 — CID 91885418

IUPAC4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2O[C@@H](c3ccccc3)C[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C24H25NO2/c1-25(2)21-15-13-20(14-16-21)24-26-22(18-9-5-3-6-10-18)17-23(27-24)19-11-7-4-8-12-19/h3-16,22-24H,17H2,1-2H3/t22-,23-/m1/s1
InChIKeySJRMPIVJJKXQPC-DHIUTWEWSA-N
MW359.47 g/mol
LogP5.67
Rot. Bonds4

About 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline

4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline (PubChem CID 91885418) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline
PubChem CID91885418
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2O[C@@H](c3ccccc3)C[C@H](c3ccccc3)O2)cc1
InChIInChI=1S/C24H25NO2/c1-25(2)21-15-13-20(14-16-21)24-26-22(18-9-5-3-6-10-18)17-23(27-24)19-11-7-4-8-12-19/h3-16,22-24H,17H2,1-2H3/t22-,23-/m1/s1
InChIKeySJRMPIVJJKXQPC-DHIUTWEWSA-N
XLogP5.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline (CID 91885418) is 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2O[C@@H](c3ccccc3)C[C@H](c3ccccc3)O2)cc1.
What is the InChIKey of 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline?
The InChIKey is SJRMPIVJJKXQPC-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H25NO2/c1-25(2)21-15-13-20(14-16-21)24-26-22(18-9-5-3-6-10-18)17-23(27-24)19-11-7-4-8-12-19/h3-16,22-24H,17H2,1-2H3/t22-,23-/m1/s1.
What are the key properties of 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline?
4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline has a molecular weight of 359.47 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,6R)-4,6-diphenyl-1,3-dioxan-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 91885418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).