1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one

C21H21NO4 — CID 8650952

IUPAC1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
SMILESCCC(=O)c1ccc(OCC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-2-19(23)15-7-11-18(12-8-15)26-14-20(24)16-5-9-17(10-6-16)22-13-3-4-21(22)25/h5-12H,2-4,13-14H2,1H3
InChIKeyNEIOGSMJOZPWTQ-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.67
Rot. Bonds7

About 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one

1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one (PubChem CID 8650952) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
PubChem CID8650952
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
SMILESCCC(=O)c1ccc(OCC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C21H21NO4/c1-2-19(23)15-7-11-18(12-8-15)26-14-20(24)16-5-9-17(10-6-16)22-13-3-4-21(22)25/h5-12H,2-4,13-14H2,1H3
InChIKeyNEIOGSMJOZPWTQ-UHFFFAOYSA-N
XLogP3.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(4-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8647905
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
1-[4-[2-(4-methoxy-2-nitrophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8880766
1-[4-[2-(2,5-dichlorophenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8750865
N-[3-(aminomethyl)pentan-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119570570
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
1-[4-(3-methylbutanoyl)phenyl]pyrrolidin-2-one
CID 43161134
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one (CID 8650952) is 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one is CCC(=O)c1ccc(OCC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one?
The InChIKey is NEIOGSMJOZPWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-2-19(23)15-7-11-18(12-8-15)26-14-20(24)16-5-9-17(10-6-16)22-13-3-4-21(22)25/h5-12H,2-4,13-14H2,1H3.
What are the key properties of 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one?
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one has a molecular weight of 351.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8650952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).