1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one

C22H27N3O3 — CID 126781578

IUPAC1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2ccccc2CN2CCOCC2)C1=O
InChIInChI=1S/C22H27N3O3/c1-27-21-9-5-4-8-20(21)25-11-10-19(22(25)26)23-18-7-3-2-6-17(18)16-24-12-14-28-15-13-24/h2-9,19,23H,10-16H2,1H3
InChIKeyBBNHUNPMOQGGBN-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.74
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one

1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one (PubChem CID 126781578) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
PubChem CID126781578
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
SMILESCOc1ccccc1N1CCC(Nc2ccccc2CN2CCOCC2)C1=O
InChIInChI=1S/C22H27N3O3/c1-27-21-9-5-4-8-20(21)25-11-10-19(22(25)26)23-18-7-3-2-6-17(18)16-24-12-14-28-15-13-24/h2-9,19,23H,10-16H2,1H3
InChIKeyBBNHUNPMOQGGBN-UHFFFAOYSA-N
XLogP2.74
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(morpholin-4-ylmethyl)anilino]-1-phenylpyrrolidin-2-one
CID 126788817
1-(3-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one
CID 126790945
1-(2-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869107
1-(2-methoxy-5-methylphenyl)-N-[2-(morpholin-4-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55900330
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
8-methoxy-N-[2-(morpholin-4-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 131936486
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
(2S)-2-(2-methoxyphenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 95706646
3-[(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 126791576

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one (CID 126781578) is 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one is COc1ccccc1N1CCC(Nc2ccccc2CN2CCOCC2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one?
The InChIKey is BBNHUNPMOQGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-21-9-5-4-8-20(21)25-11-10-19(22(25)26)23-18-7-3-2-6-17(18)16-24-12-14-28-15-13-24/h2-9,19,23H,10-16H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one?
1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one has a molecular weight of 381.48 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[2-(morpholin-4-ylmethyl)anilino]pyrrolidin-2-one is sourced from PubChem (CID 126781578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).