[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

C19H26N2O5 — CID 55640605

IUPAC[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCOc1ccc(CN(C)C(=O)COC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C19H26N2O5/c1-13(2)21-11-15(9-17(21)22)19(24)26-12-18(23)20(3)10-14-5-7-16(25-4)8-6-14/h5-8,13,15H,9-12H2,1-4H3
InChIKeyFZUJIIQMCYGUGB-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.45
Rot. Bonds7

About [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate

[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (PubChem CID 55640605) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
PubChem CID55640605
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
SMILESCOc1ccc(CN(C)C(=O)COC(=O)C2CC(=O)N(C(C)C)C2)cc1
InChIInChI=1S/C19H26N2O5/c1-13(2)21-11-15(9-17(21)22)19(24)26-12-18(23)20(3)10-14-5-7-16(25-4)8-6-14/h5-8,13,15H,9-12H2,1-4H3
InChIKeyFZUJIIQMCYGUGB-UHFFFAOYSA-N
XLogP1.45
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 55629892
methyl 1-[4-(4-methoxyphenyl)butan-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 168692566
[2-[benzyl(methyl)amino]-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8524535
1-O-tert-butyl 4-O-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 35214187
[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] (3S)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate
CID 95351768
2-(4-methoxyphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736682
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
[2-(4-methoxyanilino)-2-oxoethyl] (3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 9166196
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
5-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012231
N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 92621066
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate (CID 55640605) is [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is COc1ccc(CN(C)C(=O)COC(=O)C2CC(=O)N(C(C)C)C2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
The InChIKey is FZUJIIQMCYGUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-13(2)21-11-15(9-17(21)22)19(24)26-12-18(23)20(3)10-14-5-7-16(25-4)8-6-14/h5-8,13,15H,9-12H2,1-4H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate?
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-oxo-1-propan-2-ylpyrrolidine-3-carboxylate is sourced from PubChem (CID 55640605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).