(5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione

C23H28N2O5 — CID 97067887

IUPAC(5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOCc1cccc(OCC2(CN3C(=O)N[C@](C)(c4cc(C)oc4C)C3=O)CC2)c1
InChIInChI=1S/C23H28N2O5/c1-15-10-19(16(2)30-15)22(3)20(26)25(21(27)24-22)13-23(8-9-23)14-29-18-7-5-6-17(11-18)12-28-4/h5-7,10-11H,8-9,12-14H2,1-4H3,(H,24,27)/t22-/m1/s1
InChIKeyMSPXTZLUAFJEQP-JOCHJYFZSA-N
MW412.49 g/mol
LogP3.67
Rot. Bonds8

About (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 97067887) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID97067887
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name(5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOCc1cccc(OCC2(CN3C(=O)N[C@](C)(c4cc(C)oc4C)C3=O)CC2)c1
InChIInChI=1S/C23H28N2O5/c1-15-10-19(16(2)30-15)22(3)20(26)25(21(27)24-22)13-23(8-9-23)14-29-18-7-5-6-17(11-18)12-28-4/h5-7,10-11H,8-9,12-14H2,1-4H3,(H,24,27)/t22-/m1/s1
InChIKeyMSPXTZLUAFJEQP-JOCHJYFZSA-N
XLogP3.67
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
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 (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione (CID 97067887) is (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione is COCc1cccc(OCC2(CN3C(=O)N[C@](C)(c4cc(C)oc4C)C3=O)CC2)c1.
What is the InChIKey of (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is MSPXTZLUAFJEQP-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-15-10-19(16(2)30-15)22(3)20(26)25(21(27)24-22)13-23(8-9-23)14-29-18-7-5-6-17(11-18)12-28-4/h5-7,10-11H,8-9,12-14H2,1-4H3,(H,24,27)/t22-/m1/s1.
What are the key properties of (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 412.49 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2,5-dimethylfuran-3-yl)-3-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 97067887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).