2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C24H34N4O4 — CID 17427029

IUPAC2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)NCC3(N4CCOCC4)CCCCC3)C(=O)C2C)cc1
InChIInChI=1S/C24H34N4O4/c1-18-6-8-20(9-7-18)28-19(2)22(30)27(23(28)31)16-21(29)25-17-24(10-4-3-5-11-24)26-12-14-32-15-13-26/h6-9,19H,3-5,10-17H2,1-2H3,(H,25,29)
InChIKeyYQMCZFBQBFURAT-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.30
Rot. Bonds6

About 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 17427029) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID17427029
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCc1ccc(N2C(=O)N(CC(=O)NCC3(N4CCOCC4)CCCCC3)C(=O)C2C)cc1
InChIInChI=1S/C24H34N4O4/c1-18-6-8-20(9-7-18)28-19(2)22(30)27(23(28)31)16-21(29)25-17-24(10-4-3-5-11-24)26-12-14-32-15-13-26/h6-9,19H,3-5,10-17H2,1-2H3,(H,25,29)
InChIKeyYQMCZFBQBFURAT-UHFFFAOYSA-N
XLogP2.30
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.30
H-Bond Donors ≤ 51
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-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 17427029) is 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is Cc1ccc(N2C(=O)N(CC(=O)NCC3(N4CCOCC4)CCCCC3)C(=O)C2C)cc1.
What is the InChIKey of 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is YQMCZFBQBFURAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-18-6-8-20(9-7-18)28-19(2)22(30)27(23(28)31)16-21(29)25-17-24(10-4-3-5-11-24)26-12-14-32-15-13-26/h6-9,19H,3-5,10-17H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 17427029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).