(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine

C20H23NO2 — CID 11098918

IUPAC(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H23NO2/c1-20(2,3)14-21-19-22-17(15-10-6-4-7-11-15)18(23-19)16-12-8-5-9-13-16/h4-14,17-19H,1-3H3/b21-14+/t17-,18-/m1/s1
InChIKeyCPIRWDAFJJEGQQ-BXYGHZCVSA-N
MW309.41 g/mol
LogP4.92
Rot. Bonds3

About (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine

(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine (PubChem CID 11098918) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine
PubChem CID11098918
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine
SMILESCC(C)(C)/C=N/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C20H23NO2/c1-20(2,3)14-21-19-22-17(15-10-6-4-7-11-15)18(23-19)16-12-8-5-9-13-16/h4-14,17-19H,1-3H3/b21-14+/t17-,18-/m1/s1
InChIKeyCPIRWDAFJJEGQQ-BXYGHZCVSA-N
XLogP4.92
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mveveebnmblbjg-pmacekpbsa-
CID 10860732
2-ethoxy-2,4-dimethoxy-5-phenyl-5H-1,3-oxazole
CID 12341433
2,2,4-trimethoxy-5-phenyl-5H-1,3-oxazole
CID 12341434
N-benzyl-1-[(4R,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]methanimine
CID 14709900
(2R)-N-benzyl-2-(2-methoxypropan-2-yloxy)-2-phenylethanimine
CID 134870991
(2R)-2-(2-methoxypropan-2-yloxy)-N-methyl-2-phenylethanimine
CID 134871033
(4R,5R)-2-[(1E,3E)-hexa-1,3-dienyl]-4,5-diphenyl-1,3-dioxolane
CID 134889866
1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-N-methylmethanimine oxide
CID 134924671
N-cyclohexyl-2,5-diphenyl-1,3-dioxolan-4-imine
CID 135003751
(2S)-2,3-bis(phenylmethoxy)-N-prop-2-enylpropan-1-imine
CID 155933101
1,3-Dioxolane, 2-(1,1-dimethylethyl)-2-methyl-4,5-diphenyl-
CID 558480
2-Methyl-4,5-diphenyl-1,3-dioxolane
CID 13951281

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine?
The IUPAC name of (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine (CID 11098918) is (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine.
What is the SMILES notation for (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine?
The canonical SMILES for (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine is CC(C)(C)/C=N/C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine?
The InChIKey is CPIRWDAFJJEGQQ-BXYGHZCVSA-N. The full InChI is InChI=1S/C20H23NO2/c1-20(2,3)14-21-19-22-17(15-10-6-4-7-11-15)18(23-19)16-12-8-5-9-13-16/h4-14,17-19H,1-3H3/b21-14+/t17-,18-/m1/s1.
What are the key properties of (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine?
(E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine has a molecular weight of 309.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 11098918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).