(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C20H20N2O3 — CID 40777756

IUPAC(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccccc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O
InChIInChI=1S/C20H20N2O3/c1-25-17-11-5-3-8-15(17)13-22-18(23)20(21-19(22)24)12-6-9-14-7-2-4-10-16(14)20/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyHTXSIZQGYVJLCA-HXUWFJFHSA-N
MW336.39 g/mol
LogP2.98
Rot. Bonds3

About (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 40777756) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID40777756
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccccc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O
InChIInChI=1S/C20H20N2O3/c1-25-17-11-5-3-8-15(17)13-22-18(23)20(21-19(22)24)12-6-9-14-7-2-4-10-16(14)20/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyHTXSIZQGYVJLCA-HXUWFJFHSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 166179070
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869
(4S)-3'-[(2-bromo-4,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 41155641
(4R)-3'-[(5-acetyl-2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2706160
(4S)-3'-[(2-fluorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705970
(4S)-3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2085965
3'-benzylspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 4810140
(4S)-3'-[(4-chlorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240509
methyl 4-[[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]methyl]benzoate
CID 2705977
(4S)-3'-[(4-propan-2-ylphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 7240566
3'-[2-(2-methoxyphenyl)-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 18097549
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methylacetamide
CID 24544416

Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 40777756) is (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is COc1ccccc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O.
What is the InChIKey of (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is HTXSIZQGYVJLCA-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-17-11-5-3-8-15(17)13-22-18(23)20(21-19(22)24)12-6-9-14-7-2-4-10-16(14)20/h2-5,7-8,10-11H,6,9,12-13H2,1H3,(H,21,24)/t20-/m1/s1.
What are the key properties of (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 336.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[(2-methoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 40777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).