3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C20H20N2O2 — CID 4825856

IUPAC3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c23-18-20(12-4-5-13-20)21-19(24)22(18)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,21,24)
InChIKeyXNUZBJRRGNTTNY-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.72
Rot. Bonds3

About 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 4825856) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID4825856
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c23-18-20(12-4-5-13-20)21-19(24)22(18)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,21,24)
InChIKeyXNUZBJRRGNTTNY-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3'-[(4-chlorophenyl)methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 4150094
3-benzyl-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103599854
(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 124604264
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 4825856) is 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is XNUZBJRRGNTTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-18-20(12-4-5-13-20)21-19(24)22(18)14-15-8-10-17(11-9-15)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,21,24).
What are the key properties of 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 320.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 4825856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).