2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

C26H33N3O5 — CID 17118472

IUPAC2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCC(C)C)cc1
InChIInChI=1S/C26H33N3O5/c1-5-15-34-21-11-9-19(10-12-21)27-24(30)17-23-25(31)29(20-7-6-8-22(16-20)33-4)26(32)28(23)14-13-18(2)3/h6-12,16,18,23H,5,13-15,17H2,1-4H3,(H,27,30)
InChIKeyYSIVDYRTQBAADE-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.70
Rot. Bonds11

About 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (PubChem CID 17118472) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
PubChem CID17118472
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCC(C)C)cc1
InChIInChI=1S/C26H33N3O5/c1-5-15-34-21-11-9-19(10-12-21)27-24(30)17-23-25(31)29(20-7-6-8-22(16-20)33-4)26(32)28(23)14-13-18(2)3/h6-12,16,18,23H,5,13-15,17H2,1-4H3,(H,27,30)
InChIKeyYSIVDYRTQBAADE-UHFFFAOYSA-N
XLogP4.70
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-[(4S)-1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 92742866
N-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 46276930
ethyl 4-[[2-[(4R)-1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698486
2-[(4S)-3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 41284714
2-[(4R)-3-(2-acetamidoethyl)-1-(3-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 92654367
N-(4-methoxyphenyl)-2-[(4R)-3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7366712
N-(4-ethylphenyl)-2-[(4S)-3-(2-methoxyethyl)-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7268892
N-(4-ethoxyphenyl)-2-[1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 5213462
2-[(4S)-1-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 92690482
2-[3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3165118
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7318099
N-(4-methoxyphenyl)-2-[1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-2-ylmethyl)imidazolidin-4-yl]acetamide
CID 3165083

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (CID 17118472) is 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)CC2C(=O)N(c3cccc(OC)c3)C(=O)N2CCC(C)C)cc1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
The InChIKey is YSIVDYRTQBAADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-5-15-34-21-11-9-19(10-12-21)27-24(30)17-23-25(31)29(20-7-6-8-22(16-20)33-4)26(32)28(23)14-13-18(2)3/h6-12,16,18,23H,5,13-15,17H2,1-4H3,(H,27,30).
What are the key properties of 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide?
2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide has a molecular weight of 467.57 g/mol, XLogP of 4.70, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 17118472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).