N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C19H27N3O3 — CID 7180764

IUPACN-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c1
InChIInChI=1S/C19H27N3O3/c1-12(2)8-9-19(5)17(24)22(18(25)21-19)11-16(23)20-15-10-13(3)6-7-14(15)4/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,23)(H,21,25)/t19-/m0/s1
InChIKeyHDQLAVCCXFLYMT-IBGZPJMESA-N
MW345.44 g/mol
LogP2.99
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7180764) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7180764
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c1
InChIInChI=1S/C19H27N3O3/c1-12(2)8-9-19(5)17(24)22(18(25)21-19)11-16(23)20-15-10-13(3)6-7-14(15)4/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,23)(H,21,25)/t19-/m0/s1
InChIKeyHDQLAVCCXFLYMT-IBGZPJMESA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.99
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-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 42964362
N-(3,4-dimethylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804618
N-(4-bromo-2-methylphenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804609
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 16583784
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40790885
2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 7180734
N-(2,5-dimethylphenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 2579807
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2436442
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 8571706
2-[(4R)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 7180713
N-(3,5-dichlorophenyl)-2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804638
2-[4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 4804619

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7180764) is N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(C)c(NC(=O)CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is HDQLAVCCXFLYMT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)8-9-19(5)17(24)22(18(25)21-19)11-16(23)20-15-10-13(3)6-7-14(15)4/h6-7,10,12H,8-9,11H2,1-5H3,(H,20,23)(H,21,25)/t19-/m0/s1.
What are the key properties of N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7180764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).