N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide

C20H22N2O3 — CID 60551873

IUPACN-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)C(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-17-12-10-16(11-13-17)21-19(23)20(24)22-14-6-9-18(22)15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,23)
InChIKeyKJFDFHBFBSVKDM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.39
Rot. Bonds4

About N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide

N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide (PubChem CID 60551873) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
PubChem CID60551873
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)C(=O)N2CCCC2c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-2-25-17-12-10-16(11-13-17)21-19(23)20(24)22-14-6-9-18(22)15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,23)
InChIKeyKJFDFHBFBSVKDM-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60552023
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 86986350
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
N-(3-methylsulfanylphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551840
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide (CID 60551873) is N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide is CCOc1ccc(NC(=O)C(=O)N2CCCC2c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is KJFDFHBFBSVKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-25-17-12-10-16(11-13-17)21-19(23)20(24)22-14-6-9-18(22)15-7-4-3-5-8-15/h3-5,7-8,10-13,18H,2,6,9,14H2,1H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide?
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 60551873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).