naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate

C25H24N2O4 — CID 8589068

IUPACnaphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)OCc2cccc3ccccc23)C1=O
InChIInChI=1S/C25H24N2O4/c1-25(15-14-18-8-3-2-4-9-18)23(29)27(24(30)26-25)16-22(28)31-17-20-12-7-11-19-10-5-6-13-21(19)20/h2-13H,14-17H2,1H3,(H,26,30)/t25-/m0/s1
InChIKeyZCLVRJGIVQXIKD-VWLOTQADSA-N
MW416.48 g/mol
LogP3.83
Rot. Bonds7

About naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate

naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate (PubChem CID 8589068) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
PubChem CID8589068
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Namenaphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)OCc2cccc3ccccc23)C1=O
InChIInChI=1S/C25H24N2O4/c1-25(15-14-18-8-3-2-4-9-18)23(29)27(24(30)26-25)16-22(28)31-17-20-12-7-11-19-10-5-6-13-21(19)20/h2-13H,14-17H2,1H3,(H,26,30)/t25-/m0/s1
InChIKeyZCLVRJGIVQXIKD-VWLOTQADSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate with MolForge

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
CID 8589158
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
CID 8589186
[2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
CID 8589230
2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
CID 17402203
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 7170950

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?
The IUPAC name of naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate (CID 8589068) is naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate.
What is the SMILES notation for naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?
The canonical SMILES for naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate is C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)OCc2cccc3ccccc23)C1=O.
What is the InChIKey of naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?
The InChIKey is ZCLVRJGIVQXIKD-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-25(15-14-18-8-3-2-4-9-18)23(29)27(24(30)26-25)16-22(28)31-17-20-12-7-11-19-10-5-6-13-21(19)20/h2-13H,14-17H2,1H3,(H,26,30)/t25-/m0/s1.
What are the key properties of naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate?
naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate has a molecular weight of 416.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate is sourced from PubChem (CID 8589068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).