3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H25N3O4 — CID 83276943

IUPAC3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)c(C)c1
InChIInChI=1S/C23H25N3O4/c1-16-14-18(30-2)8-9-19(16)20(27)25-12-10-23(11-13-25)21(28)26(22(29)24-23)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,24,29)
InChIKeyCPGVBMYGKSNING-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.73
Rot. Bonds4

About 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 83276943) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID83276943
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)c(C)c1
InChIInChI=1S/C23H25N3O4/c1-16-14-18(30-2)8-9-19(16)20(27)25-12-10-23(11-13-25)21(28)26(22(29)24-23)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,24,29)
InChIKeyCPGVBMYGKSNING-UHFFFAOYSA-N
XLogP2.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276942
3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276944
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
3-benzyl-8-(3-fluoro-4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83275372
3-benzyl-8-(3-chloro-4-fluorobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278772
3-[(2,5-dimethylphenyl)methyl]-8-[2-(3-methoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276312
8-benzoyl-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278819
3-[(4-methoxyphenyl)methyl]-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 91218791
3-[(4-methylphenyl)methyl]-8-(2-oxo-1H-pyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276852
8-(2-methylbenzoyl)-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27622469
8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820
3-[(4-fluorophenyl)methyl]-7-(3-methoxybenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 122172188

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 83276943) is 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2)C3=O)c(C)c1.
What is the InChIKey of 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CPGVBMYGKSNING-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-14-18(30-2)8-9-19(16)20(27)25-12-10-23(11-13-25)21(28)26(22(29)24-23)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,24,29).
What are the key properties of 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 83276943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).