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

C17H26N2O2 — CID 104511467

IUPAC1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCNC(CN1CC(C(C)C)CC1=O)c1ccccc1OC
InChIInChI=1S/C17H26N2O2/c1-12(2)13-9-17(20)19(10-13)11-15(18-3)14-7-5-6-8-16(14)21-4/h5-8,12-13,15,18H,9-11H2,1-4H3
InChIKeyMDHUAOLRVUPABI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.46
Rot. Bonds6

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

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511467) 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-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511467
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCNC(CN1CC(C(C)C)CC1=O)c1ccccc1OC
InChIInChI=1S/C17H26N2O2/c1-12(2)13-9-17(20)19(10-13)11-15(18-3)14-7-5-6-8-16(14)21-4/h5-8,12-13,15,18H,9-11H2,1-4H3
InChIKeyMDHUAOLRVUPABI-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propylpyrrolidin-2-one
CID 104511373
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491847
1-[2-(methylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511502
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-propylimidazol-2-one
CID 80579661
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62927691
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyridin-2-one
CID 62962498
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512610
(3R)-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 51940764
1-ethyl-4-propan-2-ylpyrrolidin-2-one
CID 122470396
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
1-[2-(2-ethoxyphenyl)-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104679977

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one (CID 104511467) is 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one is CNC(CN1CC(C(C)C)CC1=O)c1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is MDHUAOLRVUPABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)13-9-17(20)19(10-13)11-15(18-3)14-7-5-6-8-16(14)21-4/h5-8,12-13,15,18H,9-11H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one?
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.46, 6 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-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).