3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C24H28N2O5 — CID 46667091

IUPAC3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCCC21NC(=O)N(CC(O)COc2ccc(C)cc2C)C1=O
InChIInChI=1S/C24H28N2O5/c1-15-6-9-21(16(2)11-15)31-14-18(27)13-26-22(28)24(25-23(26)29)10-4-5-17-12-19(30-3)7-8-20(17)24/h6-9,11-12,18,27H,4-5,10,13-14H2,1-3H3,(H,25,29)
InChIKeyDNEBUOAGRBRMGO-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.84
Rot. Bonds6

About 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 46667091) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID46667091
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCCC21NC(=O)N(CC(O)COc2ccc(C)cc2C)C1=O
InChIInChI=1S/C24H28N2O5/c1-15-6-9-21(16(2)11-15)31-14-18(27)13-26-22(28)24(25-23(26)29)10-4-5-17-12-19(30-3)7-8-20(17)24/h6-9,11-12,18,27H,4-5,10,13-14H2,1-3H3,(H,25,29)
InChIKeyDNEBUOAGRBRMGO-UHFFFAOYSA-N
XLogP2.84
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 25469140
(4R)-3'-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 32518558
3-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 45354126
2-[(4S)-7-methoxy-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetamide
CID 2420958
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 55409939
2-[(2S)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579986
3'-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 42911193
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 17407869
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
3-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 46796949
(2R)-1-(2,4-dimethylphenoxy)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1325318
3-[2-hydroxy-3-(4-methylphenoxy)propyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51222999

Frequently Asked Questions

What is the IUPAC name of 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 46667091) is 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)CCCC21NC(=O)N(CC(O)COc2ccc(C)cc2C)C1=O.
What is the InChIKey of 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is DNEBUOAGRBRMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-15-6-9-21(16(2)11-15)31-14-18(27)13-26-22(28)24(25-23(26)29)10-4-5-17-12-19(30-3)7-8-20(17)24/h6-9,11-12,18,27H,4-5,10,13-14H2,1-3H3,(H,25,29).
What are the key properties of 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 424.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 46667091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).