1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one

C17H25NO2 — CID 137429706

IUPAC1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(C(C)(C)CC)CC1=O
InChIInChI=1S/C17H25NO2/c1-5-17(3,4)13-11-16(19)18(12-13)14-9-7-8-10-15(14)20-6-2/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyUKVRKKFXBKKPDV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.87
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one

1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one (PubChem CID 137429706) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one
PubChem CID137429706
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(C(C)(C)CC)CC1=O
InChIInChI=1S/C17H25NO2/c1-5-17(3,4)13-11-16(19)18(12-13)14-9-7-8-10-15(14)20-6-2/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyUKVRKKFXBKKPDV-UHFFFAOYSA-N
XLogP3.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one
CID 139322997
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
(3S)-1-(2-ethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2713254
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904798
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one (CID 137429706) is 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one is CCOc1ccccc1N1CC(C(C)(C)CC)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one?
The InChIKey is UKVRKKFXBKKPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-17(3,4)13-11-16(19)18(12-13)14-9-7-8-10-15(14)20-6-2/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one?
1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-(2-methylbutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 137429706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).