5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione

C24H30N2O4 — CID 31571826

IUPAC5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1=O
InChIInChI=1S/C24H30N2O4/c1-4-24(5-2)22(28)26(23(29)25-24)15-19(27)16-30-21(18-12-7-6-8-13-18)20-14-10-9-11-17(20)3/h6-14,19,21,27H,4-5,15-16H2,1-3H3,(H,25,29)/t19-,21+/m1/s1
InChIKeyNZWPZLVOTIFSTO-CTNGQTDRSA-N
MW410.51 g/mol
LogP3.57
Rot. Bonds9

About 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione

5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione (PubChem CID 31571826) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione
PubChem CID31571826
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1=O
InChIInChI=1S/C24H30N2O4/c1-4-24(5-2)22(28)26(23(29)25-24)15-19(27)16-30-21(18-12-7-6-8-13-18)20-14-10-9-11-17(20)3/h6-14,19,21,27H,4-5,15-16H2,1-3H3,(H,25,29)/t19-,21+/m1/s1
InChIKeyNZWPZLVOTIFSTO-CTNGQTDRSA-N
XLogP3.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]isoindole-1,3-dione
CID 31563617
2-[(2R)-2-hydroxy-3-[(R)-(2-methylphenyl)-phenylmethoxy]propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 31579899
5,5-diethyl-3-[(2S)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571808
5,5-diethyl-3-[(2R)-2-hydroxy-2-phenylethyl]imidazolidine-2,4-dione
CID 31571809
5,5-diethyl-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]imidazolidine-2,4-dione
CID 18086989
(5S)-5-butyl-3-[(2R)-2-hydroxy-3-[(R)-(4-methylphenyl)-phenylmethoxy]propyl]-5-methylimidazolidine-2,4-dione
CID 98678800
(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 51545092
3-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-5,5-diethylimidazolidine-2,4-dione
CID 18086988
5,5-diethyl-3-[2-hydroxy-2-(4-methylphenyl)ethyl]imidazolidine-2,4-dione
CID 111476311
(2S)-1-(butylamino)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 2124057
(2R)-1-[(S)-(2-methylphenyl)-phenylmethoxy]-3-(4-nitroimidazol-1-yl)propan-2-ol
CID 51940184
2-[[4-[2-hydroxy-3-[(2-methylphenyl)-phenylmethoxy]propyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135914783

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione (CID 31571826) is 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(C[C@@H](O)CO[C@@H](c2ccccc2)c2ccccc2C)C1=O.
What is the InChIKey of 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione?
The InChIKey is NZWPZLVOTIFSTO-CTNGQTDRSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-24(5-2)22(28)26(23(29)25-24)15-19(27)16-30-21(18-12-7-6-8-13-18)20-14-10-9-11-17(20)3/h6-14,19,21,27H,4-5,15-16H2,1-3H3,(H,25,29)/t19-,21+/m1/s1.
What are the key properties of 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione has a molecular weight of 410.51 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[(2R)-2-hydroxy-3-[(S)-(2-methylphenyl)-phenylmethoxy]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 31571826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).