2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide

C27H26N2O3 — CID 19823518

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide
SMILESCN(CC(c1ccccc1)c1ccccc1)C(=O)C(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H26N2O3/c1-27(2,29-24(30)21-16-10-11-17-22(21)25(29)31)26(32)28(3)18-23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23H,18H2,1-3H3
InChIKeyMVZNDSAUPOGAEM-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.35
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide

2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide (PubChem CID 19823518) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide
PubChem CID19823518
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide
SMILESCN(CC(c1ccccc1)c1ccccc1)C(=O)C(C)(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H26N2O3/c1-27(2,29-24(30)21-16-10-11-17-22(21)25(29)31)26(32)28(3)18-23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23H,18H2,1-3H3
InChIKeyMVZNDSAUPOGAEM-UHFFFAOYSA-N
XLogP4.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide (CID 19823518) is 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide is CN(CC(c1ccccc1)c1ccccc1)C(=O)C(C)(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide?
The InChIKey is MVZNDSAUPOGAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-27(2,29-24(30)21-16-10-11-17-22(21)25(29)31)26(32)28(3)18-23(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17,23H,18H2,1-3H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide has a molecular weight of 426.52 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2,2-diphenylethyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 19823518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).