N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C23H26N4O5 — CID 18224764

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCC1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H26N4O5/c1-5-23(16-7-10-18(32-4)11-8-16)20(29)27(22(31)26-23)13-19(28)25-21(30)24-17-9-6-14(2)15(3)12-17/h6-12H,5,13H2,1-4H3,(H,26,31)(H2,24,25,28,30)
InChIKeyCBNRRQJETCXRQP-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.82
Rot. Bonds6

About N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 18224764) has the molecular formula C23H26N4O5 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID18224764
Molecular FormulaC23H26N4O5
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCCC1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H26N4O5/c1-5-23(16-7-10-18(32-4)11-8-16)20(29)27(22(31)26-23)13-19(28)25-21(30)24-17-9-6-14(2)15(3)12-17/h6-12H,5,13H2,1-4H3,(H,26,31)(H2,24,25,28,30)
InChIKeyCBNRRQJETCXRQP-UHFFFAOYSA-N
XLogP2.82
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.82
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-(3,4-dimethylphenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179665
N-(4-acetamidophenyl)-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17390593
N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595573
N-(tert-butylcarbamoyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595574
N-(4-ethoxyphenyl)-2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7595517
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2584670
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7595447
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7595557
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17449465
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 7802367
2-[(4R)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8565956
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2584779

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 18224764) is N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CCC1(c2ccc(OC)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccc(C)c(C)c2)C1=O.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is CBNRRQJETCXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5/c1-5-23(16-7-10-18(32-4)11-8-16)20(29)27(22(31)26-23)13-19(28)25-21(30)24-17-9-6-14(2)15(3)12-17/h6-12H,5,13H2,1-4H3,(H,26,31)(H2,24,25,28,30).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 18224764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).