(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C26H26N2O5 — CID 25469140

IUPAC(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C1=O
InChIInChI=1S/C26H26N2O5/c1-32-20-11-12-22-18(14-20)8-5-13-26(22)24(30)28(25(31)27-26)15-19(29)16-33-23-10-4-7-17-6-2-3-9-21(17)23/h2-4,6-7,9-12,14,19,29H,5,8,13,15-16H2,1H3,(H,27,31)/t19-,26-/m1/s1
InChIKeyCYPLITGVGOTAHV-NIYFSFCBSA-N
MW446.50 g/mol
LogP3.37
Rot. Bonds6

About (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 25469140) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID25469140
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCOc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C1=O
InChIInChI=1S/C26H26N2O5/c1-32-20-11-12-22-18(14-20)8-5-13-26(22)24(30)28(25(31)27-26)15-19(29)16-33-23-10-4-7-17-6-2-3-9-21(17)23/h2-4,6-7,9-12,14,19,29H,5,8,13,15-16H2,1H3,(H,27,31)/t19-,26-/m1/s1
InChIKeyCYPLITGVGOTAHV-NIYFSFCBSA-N
XLogP3.37
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 25469140) is (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is COc1ccc2c(c1)CCC[C@@]21NC(=O)N(C[C@@H](O)COc2cccc3ccccc23)C1=O.
What is the InChIKey of (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is CYPLITGVGOTAHV-NIYFSFCBSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-32-20-11-12-22-18(14-20)8-5-13-26(22)24(30)28(25(31)27-26)15-19(29)16-33-23-10-4-7-17-6-2-3-9-21(17)23/h2-4,6-7,9-12,14,19,29H,5,8,13,15-16H2,1H3,(H,27,31)/t19-,26-/m1/s1.
What are the key properties of (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
(4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 446.50 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3'-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 25469140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).