N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C20H25N3O3 — CID 41194124

IUPACN-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C20H25N3O3/c1-6-20(7-2,8-3)21-16(24)13-23-17(25)19(5,22-18(23)26)15-11-9-14(4)10-12-15/h1,9-12H,7-8,13H2,2-5H3,(H,21,24)(H,22,26)/t19-/m1/s1
InChIKeyXBPHJIJNBYYPTO-LJQANCHMSA-N
MW355.44 g/mol
LogP2.07
Rot. Bonds6

About N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41194124) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID41194124
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC#CC(CC)(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O
InChIInChI=1S/C20H25N3O3/c1-6-20(7-2,8-3)21-16(24)13-23-17(25)19(5,22-18(23)26)15-11-9-14(4)10-12-15/h1,9-12H,7-8,13H2,2-5H3,(H,21,24)(H,22,26)/t19-/m1/s1
InChIKeyXBPHJIJNBYYPTO-LJQANCHMSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 17413640
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 42964323
2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40748614
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 2581518
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 119572757
N-[2-(methylamino)propyl]-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 120831423
N-(3,5-dichlorophenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7178689
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 2581674
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
(2R)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119370203
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42897977

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41194124) is N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is C#CC(CC)(CC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is XBPHJIJNBYYPTO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-6-20(7-2,8-3)21-16(24)13-23-17(25)19(5,22-18(23)26)15-11-9-14(4)10-12-15/h1,9-12H,7-8,13H2,2-5H3,(H,21,24)(H,22,26)/t19-/m1/s1.
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41194124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).