ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate

C17H22N2O5 — CID 43971015

IUPACethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H22N2O5/c1-3-24-17(22)9-8-15(20)18-12-10-16(21)19(11-12)13-4-6-14(23-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyBLQNUPSVMMFGBK-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.26
Rot. Bonds7

About ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate

ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate (PubChem CID 43971015) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
PubChem CID43971015
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nameethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C17H22N2O5/c1-3-24-17(22)9-8-15(20)18-12-10-16(21)19(11-12)13-4-6-14(23-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyBLQNUPSVMMFGBK-UHFFFAOYSA-N
XLogP1.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

ethyl 4-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate
CID 7563752
3-(4-methoxyphenyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7255066
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
CID 110736807
1-ethyl-3-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18572695
1-ethyl-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244162
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7548852
N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 7563965
3-chloro-N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971031
2-(4-methoxyphenyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7546938
N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 7255127

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate (CID 43971015) is ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NC1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate?
The InChIKey is BLQNUPSVMMFGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-24-17(22)9-8-15(20)18-12-10-16(21)19(11-12)13-4-6-14(23-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate?
ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate has a molecular weight of 334.37 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 43971015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).