N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide

C23H28N2O3 — CID 110640189

IUPACN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c26-22(12-7-15-28-21-10-5-2-6-11-21)24-17-20-16-23(27)25(18-20)14-13-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,24,26)
InChIKeyGUFXGRHGNLZUFK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.05
Rot. Bonds10

About N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide

N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide (PubChem CID 110640189) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
PubChem CID110640189
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c26-22(12-7-15-28-21-10-5-2-6-11-21)24-17-20-16-23(27)25(18-20)14-13-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,24,26)
InChIKeyGUFXGRHGNLZUFK-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640187
2-(4-methylphenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640198
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
2-(cyclohexen-1-yl)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97082046
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 110413373
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 16919339
(1R,2S,4R)-N-[[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129434820
(1R,2R,4R)-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129378537
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480

Frequently Asked Questions

What is the IUPAC name of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide?
The IUPAC name of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide (CID 110640189) is N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCC1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide?
The InChIKey is GUFXGRHGNLZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(12-7-15-28-21-10-5-2-6-11-21)24-17-20-16-23(27)25(18-20)14-13-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2,(H,24,26).
What are the key properties of N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide?
N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide has a molecular weight of 380.49 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-4-phenoxybutanamide is sourced from PubChem (CID 110640189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).