2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide

C14H17N3O4 — CID 2225699

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H17N3O4/c1-14(2)12(19)17(13(20)16-14)8-11(18)15-9-6-4-5-7-10(9)21-3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,20)
InChIKeyJXKRVKIOCVUKSK-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.96
Rot. Bonds4

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 2225699) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID2225699
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C14H17N3O4/c1-14(2)12(19)17(13(20)16-14)8-11(18)15-9-6-4-5-7-10(9)21-3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,20)
InChIKeyJXKRVKIOCVUKSK-UHFFFAOYSA-N
XLogP0.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide (CID 2225699) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is JXKRVKIOCVUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2)12(19)17(13(20)16-14)8-11(18)15-9-6-4-5-7-10(9)21-3/h4-7H,8H2,1-3H3,(H,15,18)(H,16,20).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2225699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).