1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one

C18H28N2O2 — CID 126462117

IUPAC1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
SMILESCCCNCCC1CCC(=O)N1CCc1ccccc1OC
InChIInChI=1S/C18H28N2O2/c1-3-12-19-13-10-16-8-9-18(21)20(16)14-11-15-6-4-5-7-17(15)22-2/h4-7,16,19H,3,8-14H2,1-2H3
InChIKeyYJVUCDIYYCYAQG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.62
Rot. Bonds9

About 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one

1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one (PubChem CID 126462117) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
PubChem CID126462117
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
SMILESCCCNCCC1CCC(=O)N1CCc1ccccc1OC
InChIInChI=1S/C18H28N2O2/c1-3-12-19-13-10-16-8-9-18(21)20(16)14-11-15-6-4-5-7-17(15)22-2/h4-7,16,19H,3,8-14H2,1-2H3
InChIKeyYJVUCDIYYCYAQG-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.62
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

(5S)-1-[2-(3-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one
CID 125164340
2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106261295
(5R)-5-[2-[(3-methoxyphenyl)methylamino]ethyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 26283248
1-[2-(2-chlorophenyl)ethyl]-5-[2-[(2-fluorophenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45174372
1-[2-(4-fluorophenyl)ethyl]-5-[2-[(4-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 45185202
(5S)-1-(3,3-diphenylpropyl)-5-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 125163192
N-[2-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-2-methoxybenzamide
CID 118791949
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
5-[2-(2-phenoxyethylamino)ethyl]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 45173022
(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
1-[(5-fluoro-2-methylphenyl)methyl]-5-[2-(2-methoxyethylamino)ethyl]pyrrolidin-2-one
CID 45252200

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one (CID 126462117) is 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one is CCCNCCC1CCC(=O)N1CCc1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one?
The InChIKey is YJVUCDIYYCYAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-12-19-13-10-16-8-9-18(21)20(16)14-11-15-6-4-5-7-17(15)22-2/h4-7,16,19H,3,8-14H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one?
1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one has a molecular weight of 304.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-5-[2-(propylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 126462117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).