2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C24H26N4O5 — CID 17457011

IUPAC2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCC1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O
InChIInChI=1S/C24H26N4O5/c1-3-24(16-6-12-19(33-2)13-7-16)22(31)28(23(32)26-24)15-20(29)25-17-8-10-18(11-9-17)27-14-4-5-21(27)30/h6-13H,3-5,14-15H2,1-2H3,(H,25,29)(H,26,32)
InChIKeyNZJFFXLUWVAAKK-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.62
Rot. Bonds7

About 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 17457011) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID17457011
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCC1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O
InChIInChI=1S/C24H26N4O5/c1-3-24(16-6-12-19(33-2)13-7-16)22(31)28(23(32)26-24)15-20(29)25-17-8-10-18(11-9-17)27-14-4-5-21(27)30/h6-13H,3-5,14-15H2,1-2H3,(H,25,29)(H,26,32)
InChIKeyNZJFFXLUWVAAKK-UHFFFAOYSA-N
XLogP2.62
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 17457011) is 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCC1(c2ccc(OC)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1=O.
What is the InChIKey of 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is NZJFFXLUWVAAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-3-24(16-6-12-19(33-2)13-7-16)22(31)28(23(32)26-24)15-20(29)25-17-8-10-18(11-9-17)27-14-4-5-21(27)30/h6-13H,3-5,14-15H2,1-2H3,(H,25,29)(H,26,32).
What are the key properties of 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 17457011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).