[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

C33H35NO3 — CID 15347757

IUPAC[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NO3/c1-31(2)36-29(32(34(3)4,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,35H,1-4H3/t29-,30-/m1/s1
InChIKeyGNKACANVOFCRBC-LOYHVIPDSA-N
MW493.65 g/mol
LogP5.95
Rot. Bonds7

About [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol (PubChem CID 15347757) has the molecular formula C33H35NO3 and a molecular weight of 493.65 g/mol. Its IUPAC name is [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
PubChem CID15347757
Molecular FormulaC33H35NO3
Molecular Weight493.65 g/mol
Exact Mass493.26
IUPAC Name[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H35NO3/c1-31(2)36-29(32(34(3)4,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,35H,1-4H3/t29-,30-/m1/s1
InChIKeyGNKACANVOFCRBC-LOYHVIPDSA-N
XLogP5.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The IUPAC name of [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol (CID 15347757) is [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol.
What is the SMILES notation for [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The canonical SMILES for [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol is CN(C)C(c1ccccc1)(c1ccccc1)[C@@H]1OC(C)(C)O[C@H]1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The InChIKey is GNKACANVOFCRBC-LOYHVIPDSA-N. The full InChI is InChI=1S/C33H35NO3/c1-31(2)36-29(32(34(3)4,25-17-9-5-10-18-25)26-19-11-6-12-20-26)30(37-31)33(35,27-21-13-7-14-22-27)28-23-15-8-16-24-28/h5-24,29-30,35H,1-4H3/t29-,30-/m1/s1.
What are the key properties of [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
[(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol has a molecular weight of 493.65 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-5-[dimethylamino(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol is sourced from PubChem (CID 15347757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).