2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide

C22H33N3O3 — CID 8625506

IUPAC2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
SMILESCC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H33N3O3/c1-14(2)7-8-16(5)23-19(26)13-25-20(27)22(6,24-21(25)28)18-11-9-17(10-12-18)15(3)4/h9-12,14-16H,7-8,13H2,1-6H3,(H,23,26)(H,24,28)/t16-,22+/m0/s1
InChIKeyXZJQWJMAIXLJPG-KSFYIVLOSA-N
MW387.52 g/mol
LogP3.52
Rot. Bonds8

About 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide

2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide (PubChem CID 8625506) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
PubChem CID8625506
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide
SMILESCC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H33N3O3/c1-14(2)7-8-16(5)23-19(26)13-25-20(27)22(6,24-21(25)28)18-11-9-17(10-12-18)15(3)4/h9-12,14-16H,7-8,13H2,1-6H3,(H,23,26)(H,24,28)/t16-,22+/m0/s1
InChIKeyXZJQWJMAIXLJPG-KSFYIVLOSA-N
XLogP3.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.52
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

N-[(2S)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7802579
N-[(2R)-5-methylhexan-2-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40748919
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 24520507
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 8625386
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7596132
N-(methylcarbamoyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 9453005
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595756
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55327757
N-(2,6-diethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595813
N-[(2R)-butan-2-yl]-2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2705949

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide?
The IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide (CID 8625506) is 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide.
What is the SMILES notation for 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide?
The canonical SMILES for 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide is CC(C)CC[C@H](C)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide?
The InChIKey is XZJQWJMAIXLJPG-KSFYIVLOSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-14(2)7-8-16(5)23-19(26)13-25-20(27)22(6,24-21(25)28)18-11-9-17(10-12-18)15(3)4/h9-12,14-16H,7-8,13H2,1-6H3,(H,23,26)(H,24,28)/t16-,22+/m0/s1.
What are the key properties of 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide?
2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide has a molecular weight of 387.52 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide is sourced from PubChem (CID 8625506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).