(3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione

C25H21NO2 — CID 1384785

IUPAC(3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
SMILESCc1ccc(N2C(=O)C[C@]3(CC3(c3ccccc3)c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H21NO2/c1-18-12-14-21(15-13-18)26-22(27)16-24(23(26)28)17-25(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3/t24-/m0/s1
InChIKeyYSOVMRJJZZESGB-DEOSSOPVSA-N
MW367.45 g/mol
LogP4.63
Rot. Bonds3

About (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione

(3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione (PubChem CID 1384785) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione.

Molecular Properties

Compound Name(3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
PubChem CID1384785
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name(3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione
SMILESCc1ccc(N2C(=O)C[C@]3(CC3(c3ccccc3)c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H21NO2/c1-18-12-14-21(15-13-18)26-22(27)16-24(23(26)28)17-25(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3/t24-/m0/s1
InChIKeyYSOVMRJJZZESGB-DEOSSOPVSA-N
XLogP4.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The IUPAC name of (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione (CID 1384785) is (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione.
What is the SMILES notation for (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The canonical SMILES for (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione is Cc1ccc(N2C(=O)C[C@]3(CC3(c3ccccc3)c3ccccc3)C2=O)cc1.
What is the InChIKey of (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
The InChIKey is YSOVMRJJZZESGB-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H21NO2/c1-18-12-14-21(15-13-18)26-22(27)16-24(23(26)28)17-25(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3/t24-/m0/s1.
What are the key properties of (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione?
(3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione has a molecular weight of 367.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(4-methylphenyl)-2,2-diphenyl-5-azaspiro[2.4]heptane-4,6-dione is sourced from PubChem (CID 1384785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).