(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C20H20N2O3 — CID 94184393

IUPAC(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[C@@H](O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-17(15-8-2-1-3-9-15)13-22-18(24)20(21-19(22)25)12-6-10-14-7-4-5-11-16(14)20/h1-5,7-9,11,17,23H,6,10,12-13H2,(H,21,25)/t17-,20+/m1/s1
InChIKeyQNNDIIPSNMSUOR-XLIONFOSSA-N
MW336.39 g/mol
LogP2.50
Rot. Bonds3

About (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 94184393) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID94184393
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[C@@H](O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c23-17(15-8-2-1-3-9-15)13-22-18(24)20(21-19(22)25)12-6-10-14-7-4-5-11-16(14)20/h1-5,7-9,11,17,23H,6,10,12-13H2,(H,21,25)/t17-,20+/m1/s1
InChIKeyQNNDIIPSNMSUOR-XLIONFOSSA-N
XLogP2.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.50
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

3'-[2-(4-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51075560
3'-[2-(3-fluorophenyl)-2-hydroxyethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 47053135
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2705974
(4S)-3'-[(4-propan-2-ylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240566
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 7519242
(4S)-3'-[2-(azepan-1-yl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705993
3'-(3,3-dimethyl-2-oxobutyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810139
(4R)-3'-(2-phenoxyethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2666003
(4R)-3'-(2-oxo-2-piperidin-1-ylethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706127
1'-(2-hydroxy-2-phenylethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 110026793

Frequently Asked Questions

What is the IUPAC name of (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 94184393) is (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[C@@H](O)c1ccccc1.
What is the InChIKey of (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is QNNDIIPSNMSUOR-XLIONFOSSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-17(15-8-2-1-3-9-15)13-22-18(24)20(21-19(22)25)12-6-10-14-7-4-5-11-16(14)20/h1-5,7-9,11,17,23H,6,10,12-13H2,(H,21,25)/t17-,20+/m1/s1.
What are the key properties of (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 336.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3'-[(2S)-2-hydroxy-2-phenylethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 94184393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).