[(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate

C19H17N3O4 — CID 7793306

IUPAC[(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESC[C@H](C#N)OC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C19H17N3O4/c1-12(10-20)26-16(23)11-22-17(24)19(2,21-18(22)25)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,11H2,1-2H3,(H,21,25)/t12-,19+/m1/s1
InChIKeyYAGNHBRLQXNQRJ-BLVKFPJESA-N
MW351.36 g/mol
LogP2.06
Rot. Bonds4

About [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate

[(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7793306) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7793306
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESC[C@H](C#N)OC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C19H17N3O4/c1-12(10-20)26-16(23)11-22-17(24)19(2,21-18(22)25)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,11H2,1-2H3,(H,21,25)/t12-,19+/m1/s1
InChIKeyYAGNHBRLQXNQRJ-BLVKFPJESA-N
XLogP2.06
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
N-[(2R)-5-methylhexan-2-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40748919
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55537845
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 9246846
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 41194369
2-[(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]pentanedinitrile
CID 45281784
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate
CID 95781047
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26017425
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
N'-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 55495846

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate (CID 7793306) is [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate is C[C@H](C#N)OC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is YAGNHBRLQXNQRJ-BLVKFPJESA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12(10-20)26-16(23)11-22-17(24)19(2,21-18(22)25)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,11H2,1-2H3,(H,21,25)/t12-,19+/m1/s1.
What are the key properties of [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate?
[(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 351.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-cyanoethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7793306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).