2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide

C22H24N2O4 — CID 84572826

IUPAC2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(16-9-5-4-6-10-16)23-19(25)13-28-14-22(2,3)24-20(26)17-11-7-8-12-18(17)21(24)27/h4-12,15H,13-14H2,1-3H3,(H,23,25)
InChIKeyDZUBXSPCGUINKX-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.96
Rot. Bonds7

About 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide

2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide (PubChem CID 84572826) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide
PubChem CID84572826
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(16-9-5-4-6-10-16)23-19(25)13-28-14-22(2,3)24-20(26)17-11-7-8-12-18(17)21(24)27/h4-12,15H,13-14H2,1-3H3,(H,23,25)
InChIKeyDZUBXSPCGUINKX-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
N-butyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572770
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 84572829
1-methoxypropan-2-yl 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetate
CID 84572873
N-(2,4-dimethylphenyl)-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]acetamide
CID 84572606
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(2-ethoxyphenyl)acetamide
CID 84572610
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoate
CID 8942428
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
N-benzyl-2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-methylacetamide
CID 84572827
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide
CID 84572767
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(1,3-dioxoisoindol-2-yl)benzoate
CID 2600062

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide (CID 84572826) is 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide is CC(NC(=O)COCC(C)(C)N1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide?
The InChIKey is DZUBXSPCGUINKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(16-9-5-4-6-10-16)23-19(25)13-28-14-22(2,3)24-20(26)17-11-7-8-12-18(17)21(24)27/h4-12,15H,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide?
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide has a molecular weight of 380.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 84572826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).