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

C21H22N4O5 — CID 75356866

IUPACN-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)Nc3cccc(NC(C)=O)c3)C2=O)cc1
InChIInChI=1S/C21H22N4O5/c1-13(26)22-15-4-3-5-16(10-15)23-19(27)11-18-20(28)25(21(29)24-18)12-14-6-8-17(30-2)9-7-14/h3-10,18H,11-12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)
InChIKeyFQMQODQXMPDBIX-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.10
Rot. Bonds7

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

N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (PubChem CID 75356866) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
PubChem CID75356866
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC NameN-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)Nc3cccc(NC(C)=O)c3)C2=O)cc1
InChIInChI=1S/C21H22N4O5/c1-13(26)22-15-4-3-5-16(10-15)23-19(27)11-18-20(28)25(21(29)24-18)12-14-6-8-17(30-2)9-7-14/h3-10,18H,11-12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)
InChIKeyFQMQODQXMPDBIX-UHFFFAOYSA-N
XLogP2.10
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871007
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531893
N-(1,3-benzodioxol-5-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71825917
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)acetamide
CID 71709403
N-(2-hydroxyethyl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491048
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]acetamide
CID 97264562
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 124864442
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71828189
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71708282
N-cyclohexyl-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124863994
N-(3-acetamidophenyl)-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 73451765
N-[2-(dimethylamino)ethyl]-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356959

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide (CID 75356866) is N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is COc1ccc(CN2C(=O)NC(CC(=O)Nc3cccc(NC(C)=O)c3)C2=O)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
The InChIKey is FQMQODQXMPDBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-13(26)22-15-4-3-5-16(10-15)23-19(27)11-18-20(28)25(21(29)24-18)12-14-6-8-17(30-2)9-7-14/h3-10,18H,11-12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29).
What are the key properties of N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide?
N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide has a molecular weight of 410.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide is sourced from PubChem (CID 75356866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).