1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide

C19H26ClN3O5 — CID 123428327

IUPAC1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide
SMILESNCCOCCOCCN1CC(C(=O)NCCc2ccc(Cl)cc2)C(=O)C1=O
InChIInChI=1S/C19H26ClN3O5/c20-15-3-1-14(2-4-15)5-7-22-18(25)16-13-23(19(26)17(16)24)8-10-28-12-11-27-9-6-21/h1-4,16H,5-13,21H2,(H,22,25)
InChIKeyUZCQWKFUYIZYRY-UHFFFAOYSA-N
MW411.89 g/mol
LogP0.02
Rot. Bonds12

About 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide

1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide (PubChem CID 123428327) has the molecular formula C19H26ClN3O5 and a molecular weight of 411.89 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide
PubChem CID123428327
Molecular FormulaC19H26ClN3O5
Molecular Weight411.89 g/mol
Exact Mass411.16
IUPAC Name1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide
SMILESNCCOCCOCCN1CC(C(=O)NCCc2ccc(Cl)cc2)C(=O)C1=O
InChIInChI=1S/C19H26ClN3O5/c20-15-3-1-14(2-4-15)5-7-22-18(25)16-13-23(19(26)17(16)24)8-10-28-12-11-27-9-6-21/h1-4,16H,5-13,21H2,(H,22,25)
InChIKeyUZCQWKFUYIZYRY-UHFFFAOYSA-N
XLogP0.02
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dichlorophenyl)propyl]-1-[2-(4-methoxyphenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide
CID 123320002
1-methyl-4,5-dioxo-N-[2-(4-phenoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 123833413
3-[4-[3-(3,4-dichlorophenyl)propylcarbamoyl]-2,3-dioxopyrrolidin-1-yl]propanoic acid
CID 123627439
N-[2-(4-chlorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182532
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
3,4-bis[2-(4-chlorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961386
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
(3R,4R)-3-N,4-N-bis[2-(4-chlorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 154961412
N-[3-(3,4-dichlorophenyl)propyl]-4,5-dioxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 71544118
1-[(4-chlorophenyl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113183699
N-[2-(4-chlorophenyl)ethyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513201
N-[3-(3,4-dichlorophenyl)propyl]-1-(2-methylbutyl)-4,5-dioxopyrrolidine-3-carboxamide
CID 123893060

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide (CID 123428327) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide is NCCOCCOCCN1CC(C(=O)NCCc2ccc(Cl)cc2)C(=O)C1=O.
What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide?
The InChIKey is UZCQWKFUYIZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O5/c20-15-3-1-14(2-4-15)5-7-22-18(25)16-13-23(19(26)17(16)24)8-10-28-12-11-27-9-6-21/h1-4,16H,5-13,21H2,(H,22,25).
What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide?
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 0.02, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-N-[2-(4-chlorophenyl)ethyl]-4,5-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 123428327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).