[4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate

C22H23NO4 — CID 36670672

IUPAC[4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
SMILESCC(C)(c1ccccc1)c1ccc(OC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H23NO4/c1-22(2,16-6-4-3-5-7-16)17-8-10-18(11-9-17)27-21(26)14-15-23-19(24)12-13-20(23)25/h3-11H,12-15H2,1-2H3
InChIKeyAIOGWDHXRLSBGM-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.46
Rot. Bonds6

About [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate

[4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate (PubChem CID 36670672) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Name[4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
PubChem CID36670672
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name[4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
SMILESCC(C)(c1ccccc1)c1ccc(OC(=O)CCN2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H23NO4/c1-22(2,16-6-4-3-5-7-16)17-8-10-18(11-9-17)27-21(26)14-15-23-19(24)12-13-20(23)25/h3-11H,12-15H2,1-2H3
InChIKeyAIOGWDHXRLSBGM-UHFFFAOYSA-N
XLogP3.46
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-{[4-(4-Benzyl-phenoxy)-butyl]-methyl-amino}-propionic acid ethyl ester
CID 10872321
1-[2-(4-Benzyl-phenoxy)-ethyl]-pyrrolidine-3-carboxylic acid methyl ester
CID 18678190
3-(4-Ethoxyphenyl)-1,3-dimethylpyrrolidine-2,5-dione
CID 584360
1-[3-(4-Methoxyphenyl)-4-methylpentyl]pyrrolidine-2,5-dione
CID 666097
1-[3-(4-Methoxyphenyl)-6-methylheptyl]pyrrolidine-2,5-dione
CID 3552807
3-(p-Acetyloxyphenethyl-3-propyl-3-pyrrolidinyl)phenol acetate
CID 117398
Phenol, p-(1-methyl-3-propyl-3-pyrrolidinyl)-, acetate
CID 200320
3-(1-Phenethyl-3-propyl-3-pyrrolidinyl)phenol acetate
CID 203048
Pyrrolidine, 1-(p-acetoxyphenethyl)-3-(m-acetoxyphenyl)-3-neopentyl-
CID 217417
3-(4-Phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 155512842
2-(4-(1-Methyl-1-(4-(2-((1-oxoallyl)oxy)ethoxy)phenyl)ethyl)phenoxy)ethyl N,N-diethyl-beta-alaninate
CID 44147518
1-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methoxyphenyl)propyl]-2,5-pyrrolidinedione
CID 3145043

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The IUPAC name of [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate (CID 36670672) is [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The canonical SMILES for [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate is CC(C)(c1ccccc1)c1ccc(OC(=O)CCN2C(=O)CCC2=O)cc1.
What is the InChIKey of [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate?
The InChIKey is AIOGWDHXRLSBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-22(2,16-6-4-3-5-7-16)17-8-10-18(11-9-17)27-21(26)14-15-23-19(24)12-13-20(23)25/h3-11H,12-15H2,1-2H3.
What are the key properties of [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate?
[4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate has a molecular weight of 365.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenylpropan-2-yl)phenyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 36670672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).