1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one

C17H26N2O2 — CID 104511373

IUPAC1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(NC)c2ccccc2OC)C1
InChIInChI=1S/C17H26N2O2/c1-4-7-13-10-17(20)19(11-13)12-15(18-2)14-8-5-6-9-16(14)21-3/h5-6,8-9,13,15,18H,4,7,10-12H2,1-3H3
InChIKeySPVYNEJKXKXAKF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.60
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one (PubChem CID 104511373) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
PubChem CID104511373
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(CC(NC)c2ccccc2OC)C1
InChIInChI=1S/C17H26N2O2/c1-4-7-13-10-17(20)19(11-13)12-15(18-2)14-8-5-6-9-16(14)21-3/h5-6,8-9,13,15,18H,4,7,10-12H2,1-3H3
InChIKeySPVYNEJKXKXAKF-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511467
1-[3-methoxy-2-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 107506402
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491847
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-propylimidazol-2-one
CID 80579661
1-[2-hydroxy-3-(methylamino)propyl]-4-propylpyrrolidin-2-one
CID 104511593
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
1-[3-(methylamino)butyl]-4-propylpyrrolidin-2-one
CID 104511344
1-(2-hydroxy-3-methoxy-3-methylbutyl)-4-propylpyrrolidin-2-one
CID 114228792
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62927691
1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104679977
1-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-4-propylpyrrolidin-2-one
CID 104512576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one (CID 104511373) is 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(CC(NC)c2ccccc2OC)C1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one?
The InChIKey is SPVYNEJKXKXAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-7-13-10-17(20)19(11-13)12-15(18-2)14-8-5-6-9-16(14)21-3/h5-6,8-9,13,15,18H,4,7,10-12H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one?
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 104511373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).