N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide

C23H28N2O3 — CID 78814395

IUPACN-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
SMILESCCOc1ccc(C2CCCN2C(=O)CC(NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-28-20-13-11-19(12-14-20)22-10-7-15-25(22)23(27)16-21(24-17(2)26)18-8-5-4-6-9-18/h4-6,8-9,11-14,21-22H,3,7,10,15-16H2,1-2H3,(H,24,26)
InChIKeyUGIMQSOROAGBIV-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.02
Rot. Bonds7

About N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide

N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide (PubChem CID 78814395) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
PubChem CID78814395
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
SMILESCCOc1ccc(C2CCCN2C(=O)CC(NC(C)=O)c2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-3-28-20-13-11-19(12-14-20)22-10-7-15-25(22)23(27)16-21(24-17(2)26)18-8-5-4-6-9-18/h4-6,8-9,11-14,21-22H,3,7,10,15-16H2,1-2H3,(H,24,26)
InChIKeyUGIMQSOROAGBIV-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24513313
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
N-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 119632606
N-[(1R)-3-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-1-(4-fluorophenyl)-3-oxopropyl]acetamide
CID 92558611
N-[3-oxo-1-phenyl-3-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propyl]acetamide
CID 56779155
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551873
N-[3-[2-(2-hydroxyethyl)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 110887099
1-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750844
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110899355
(E)-N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-2-phenylethenesulfonamide
CID 78825480

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide (CID 78814395) is N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide is CCOc1ccc(C2CCCN2C(=O)CC(NC(C)=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is UGIMQSOROAGBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-28-20-13-11-19(12-14-20)22-10-7-15-25(22)23(27)16-21(24-17(2)26)18-8-5-4-6-9-18/h4-6,8-9,11-14,21-22H,3,7,10,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide?
N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 380.49 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 78814395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).