(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one

C22H28N2O2 — CID 26283248

IUPAC(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCOc1cccc(CNCC[C@H]2CCC(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-5-8-19(16-21)17-23-14-12-20-10-11-22(25)24(20)15-13-18-6-3-2-4-7-18/h2-9,16,20,23H,10-15,17H2,1H3/t20-/m1/s1
InChIKeyFIOLOCRVJQCIAH-HXUWFJFHSA-N
MW352.48 g/mol
LogP3.41
Rot. Bonds9

About (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one

(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one (PubChem CID 26283248) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one
PubChem CID26283248
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one
SMILESCOc1cccc(CNCC[C@H]2CCC(=O)N2CCc2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-5-8-19(16-21)17-23-14-12-20-10-11-22(25)24(20)15-13-18-6-3-2-4-7-18/h2-9,16,20,23H,10-15,17H2,1H3/t20-/m1/s1
InChIKeyFIOLOCRVJQCIAH-HXUWFJFHSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.41
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

(5R)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 42342765
(5R)-1-[2-(dimethylamino)ethyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 125163911
(5S)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
CID 125164340
(5S)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 26355058
(5R)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(pyridin-2-ylmethylamino)ethyl]pyrrolidin-2-one
CID 26355055
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-[(2S)-2-phenylpropyl]pyrrolidin-2-one
CID 26276309
(5S)-1-[2-(4-methoxyphenyl)ethyl]-5-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]pyrrolidin-2-one
CID 26343476
(5R)-1-[(4-chlorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26356442
1-[2-(4-fluorophenyl)ethyl]-5-[2-[(4-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45185202
(5S)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-propan-2-ylpyrrolidin-2-one
CID 26348735
(5R)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26280880
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 42164350

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one (CID 26283248) is (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one is COc1cccc(CNCC[C@H]2CCC(=O)N2CCc2ccccc2)c1.
What is the InChIKey of (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one?
The InChIKey is FIOLOCRVJQCIAH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-9-5-8-19(16-21)17-23-14-12-20-10-11-22(25)24(20)15-13-18-6-3-2-4-7-18/h2-9,16,20,23H,10-15,17H2,1H3/t20-/m1/s1.
What are the key properties of (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one?
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one has a molecular weight of 352.48 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 26283248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).