(4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione

C25H25N3O4 — CID 95802429

IUPAC(4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1NC(=O)C2(CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C25H25N3O4/c29-21-20(17-7-2-1-3-8-17)25(24(32)26-21)11-15-27(16-12-25)13-6-14-28-22(30)18-9-4-5-10-19(18)23(28)31/h1-5,7-10,20H,6,11-16H2,(H,26,29,32)/t20-/m0/s1
InChIKeyGZDQIEMIVXFUEN-FQEVSTJZSA-N
MW431.49 g/mol
LogP2.20
Rot. Bonds5

About (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione

(4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 95802429) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name(4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID95802429
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name(4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1NC(=O)C2(CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C25H25N3O4/c29-21-20(17-7-2-1-3-8-17)25(24(32)26-21)11-15-27(16-12-25)13-6-14-28-22(30)18-9-4-5-10-19(18)23(28)31/h1-5,7-10,20H,6,11-16H2,(H,26,29,32)/t20-/m0/s1
InChIKeyGZDQIEMIVXFUEN-FQEVSTJZSA-N
XLogP2.20
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione (CID 95802429) is (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione is O=C1NC(=O)C2(CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is GZDQIEMIVXFUEN-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-21-20(17-7-2-1-3-8-17)25(24(32)26-21)11-15-27(16-12-25)13-6-14-28-22(30)18-9-4-5-10-19(18)23(28)31/h1-5,7-10,20H,6,11-16H2,(H,26,29,32)/t20-/m0/s1.
What are the key properties of (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione?
(4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 431.49 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 95802429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).