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

C23H25N3O4 — CID 83278180

IUPAC3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ccccc1OCC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C23H25N3O4/c1-17-7-5-6-10-19(17)30-16-20(27)25-13-11-23(12-14-25)21(28)26(22(29)24-23)15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,24,29)
InChIKeyMZQFLNWYMRZGFD-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.49
Rot. Bonds5

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

3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 83278180) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID83278180
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1ccccc1OCC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C23H25N3O4/c1-17-7-5-6-10-19(17)30-16-20(27)25-13-11-23(12-14-25)21(28)26(22(29)24-23)15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,24,29)
InChIKeyMZQFLNWYMRZGFD-UHFFFAOYSA-N
XLogP2.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 83278180) is 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1ccccc1OCC(=O)N1CCC2(CC1)NC(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MZQFLNWYMRZGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-17-7-5-6-10-19(17)30-16-20(27)25-13-11-23(12-14-25)21(28)26(22(29)24-23)15-18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,24,29).
What are the key properties of 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-[2-(2-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 83278180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).