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

C14H20N2O3 — CID 112514914

IUPAC4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCOCCOc1ccc(CN2CC(N)CC2=O)cc1
InChIInChI=1S/C14H20N2O3/c1-18-6-7-19-13-4-2-11(3-5-13)9-16-10-12(15)8-14(16)17/h2-5,12H,6-10,15H2,1H3
InChIKeyCZANFEDTQXAVJD-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.77
Rot. Bonds6

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

4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one (PubChem CID 112514914) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one
PubChem CID112514914
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one
SMILESCOCCOc1ccc(CN2CC(N)CC2=O)cc1
InChIInChI=1S/C14H20N2O3/c1-18-6-7-19-13-4-2-11(3-5-13)9-16-10-12(15)8-14(16)17/h2-5,12H,6-10,15H2,1H3
InChIKeyCZANFEDTQXAVJD-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-butoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 16641963
methyl 5-oxo-1-[(4-propoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 154854179
(3R)-5-oxo-1-[(4-pentoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 9147382
[1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680933
1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690490
4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
CID 112514915
N-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4126186
[1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672681
4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159584
1-[[3-[2-(4-ethylphenoxy)ethoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20986716
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 119413472
4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242855

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one (CID 112514914) is 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one is COCCOc1ccc(CN2CC(N)CC2=O)cc1.
What is the InChIKey of 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is CZANFEDTQXAVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-6-7-19-13-4-2-11(3-5-13)9-16-10-12(15)8-14(16)17/h2-5,12H,6-10,15H2,1H3.
What are the key properties of 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one?
4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 112514914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).