N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C23H33N3O3 — CID 78810882

IUPACN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC(C)c1ccc(C(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)C(C)C)cc1
InChIInChI=1S/C23H33N3O3/c1-6-15(4)16-7-9-17(10-8-16)20(14(2)3)24-19(27)13-26-21(28)23(5,18-11-12-18)25-22(26)29/h7-10,14-15,18,20H,6,11-13H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyBMSPYXXONYWGTJ-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.73
Rot. Bonds8

About N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 78810882) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID78810882
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCC(C)c1ccc(C(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)C(C)C)cc1
InChIInChI=1S/C23H33N3O3/c1-6-15(4)16-7-9-17(10-8-16)20(14(2)3)24-19(27)13-26-21(28)23(5,18-11-12-18)25-22(26)29/h7-10,14-15,18,20H,6,11-13H2,1-5H3,(H,24,27)(H,25,29)
InChIKeyBMSPYXXONYWGTJ-UHFFFAOYSA-N
XLogP3.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7618408
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001957
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide
CID 86867979
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 16557047
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[furan-2-yl(phenyl)methyl]acetamide
CID 78807544
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8576444
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 51214124
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 47009609
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 94781992
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8576435
N-[4-[(2R)-butan-2-yl]phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7240735

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 78810882) is N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCC(C)c1ccc(C(NC(=O)CN2C(=O)NC(C)(C3CC3)C2=O)C(C)C)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is BMSPYXXONYWGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-6-15(4)16-7-9-17(10-8-16)20(14(2)3)24-19(27)13-26-21(28)23(5,18-11-12-18)25-22(26)29/h7-10,14-15,18,20H,6,11-13H2,1-5H3,(H,24,27)(H,25,29).
What are the key properties of N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 399.54 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 78810882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).