2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

C22H32N4O4 — CID 91823638

IUPAC2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1
InChIInChI=1S/C22H32N4O4/c1-21(2)11-15(12-22(3,4)25-21)23-18(27)10-17-19(28)26(20(29)24-17)13-14-6-8-16(30-5)9-7-14/h6-9,15,17,25H,10-13H2,1-5H3,(H,23,27)(H,24,29)
InChIKeyZKYRGLSMIXUZLN-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.93
Rot. Bonds6

About 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (PubChem CID 91823638) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
PubChem CID91823638
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
SMILESCOc1ccc(CN2C(=O)NC(CC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1
InChIInChI=1S/C22H32N4O4/c1-21(2)11-15(12-22(3,4)25-21)23-18(27)10-17-19(28)26(20(29)24-17)13-14-6-8-16(30-5)9-7-14/h6-9,15,17,25H,10-13H2,1-5H3,(H,23,27)(H,24,29)
InChIKeyZKYRGLSMIXUZLN-UHFFFAOYSA-N
XLogP1.93
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.93
H-Bond Donors ≤ 53
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-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide (CID 91823638) is 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is COc1ccc(CN2C(=O)NC(CC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1.
What is the InChIKey of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
The InChIKey is ZKYRGLSMIXUZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-21(2)11-15(12-22(3,4)25-21)23-18(27)10-17-19(28)26(20(29)24-17)13-14-6-8-16(30-5)9-7-14/h6-9,15,17,25H,10-13H2,1-5H3,(H,23,27)(H,24,29).
What are the key properties of 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide?
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide has a molecular weight of 416.52 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 91823638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).