5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

C25H33NO4 — CID 163509902

IUPAC5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCCCOc1cc(CC2CCC(=O)N2Cc2ccc(C)cc2)ccc1OCCOC
InChIInChI=1S/C25H33NO4/c1-4-13-29-24-17-21(9-11-23(24)30-15-14-28-3)16-22-10-12-25(27)26(22)18-20-7-5-19(2)6-8-20/h5-9,11,17,22H,4,10,12-16,18H2,1-3H3
InChIKeyDBUXQNZVKJPDJN-UHFFFAOYSA-N
MW411.54 g/mol
LogP4.54
Rot. Bonds11

About 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one

5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 163509902) has the molecular formula C25H33NO4 and a molecular weight of 411.54 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID163509902
Molecular FormulaC25H33NO4
Molecular Weight411.54 g/mol
Exact Mass411.24
IUPAC Name5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCCCOc1cc(CC2CCC(=O)N2Cc2ccc(C)cc2)ccc1OCCOC
InChIInChI=1S/C25H33NO4/c1-4-13-29-24-17-21(9-11-23(24)30-15-14-28-3)16-22-10-12-25(27)26(22)18-20-7-5-19(2)6-8-20/h5-9,11,17,22H,4,10,12-16,18H2,1-3H3
InChIKeyDBUXQNZVKJPDJN-UHFFFAOYSA-N
XLogP4.54
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838008
(5S)-1-[(4-chlorophenyl)methyl]-5-[[3-(dimethylamino)-4-methoxyphenyl]methyl]pyrrolidin-2-one
CID 159217640
2-(4-acetamidophenoxy)ethyl 2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838157
(5R)-1-[(4-methylphenyl)methyl]-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidin-2-one
CID 175838048
ethyl 4-(2-methoxyethoxy)-3-propoxybenzoate
CID 121423908
methyl 4-[[2-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate
CID 26344788
methyl 3-[[2-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]acetyl]amino]butanoate
CID 175838128
N-[(3,4-diethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 139023926
[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl 4-methylbenzenesulfonate
CID 10383848
1-[(3,4-dimethoxyphenyl)methyl]-5-[2-(prop-2-enylamino)ethyl]pyrrolidin-2-one
CID 118757532
N-(1-aminohexan-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 119667282
1-[[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 122036348

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 163509902) is 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is CCCOc1cc(CC2CCC(=O)N2Cc2ccc(C)cc2)ccc1OCCOC.
What is the InChIKey of 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is DBUXQNZVKJPDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4/c1-4-13-29-24-17-21(9-11-23(24)30-15-14-28-3)16-22-10-12-25(27)26(22)18-20-7-5-19(2)6-8-20/h5-9,11,17,22H,4,10,12-16,18H2,1-3H3.
What are the key properties of 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 411.54 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethoxy)-3-propoxyphenyl]methyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 163509902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).