1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one

C15H22N2O2 — CID 138546575

IUPAC1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCOCCN(C)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H22N2O2/c1-16(10-11-19-2)12-13-5-7-14(8-6-13)17-9-3-4-15(17)18/h5-8H,3-4,9-12H2,1-2H3
InChIKeyJHIOUYAARSGCQD-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds6

About 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one

1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one (PubChem CID 138546575) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one
PubChem CID138546575
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one
SMILESCOCCN(C)Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C15H22N2O2/c1-16(10-11-19-2)12-13-5-7-14(8-6-13)17-9-3-4-15(17)18/h5-8H,3-4,9-12H2,1-2H3
InChIKeyJHIOUYAARSGCQD-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen
CID 145132932
1-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111412371
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51240858
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 40682745
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
1-[4-[[methyl(oxolan-3-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 138546528
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine
CID 111414082
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27822823
2-[methyl(2-phenoxyethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8754909
1-(4-methoxyphenyl)azepan-2-one
CID 66742326

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one (CID 138546575) is 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one is COCCN(C)Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is JHIOUYAARSGCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16(10-11-19-2)12-13-5-7-14(8-6-13)17-9-3-4-15(17)18/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 138546575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).