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

C23H24ClN3O4 — CID 83276944

IUPAC3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2Cl)C3=O)c(C)c1
InChIInChI=1S/C23H24ClN3O4/c1-15-13-17(31-2)7-8-18(15)20(28)26-11-9-23(10-12-26)21(29)27(22(30)25-23)14-16-5-3-4-6-19(16)24/h3-8,13H,9-12,14H2,1-2H3,(H,25,30)
InChIKeyCGWDAMNEBLAZTR-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.38
Rot. Bonds4

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

3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 83276944) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID83276944
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2Cl)C3=O)c(C)c1
InChIInChI=1S/C23H24ClN3O4/c1-15-13-17(31-2)7-8-18(15)20(28)26-11-9-23(10-12-26)21(29)27(22(30)25-23)14-16-5-3-4-6-19(16)24/h3-8,13H,9-12,14H2,1-2H3,(H,25,30)
InChIKeyCGWDAMNEBLAZTR-UHFFFAOYSA-N
XLogP3.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.38
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-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 83276944) is 3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2Cl)C3=O)c(C)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CGWDAMNEBLAZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-15-13-17(31-2)7-8-18(15)20(28)26-11-9-23(10-12-26)21(29)27(22(30)25-23)14-16-5-3-4-6-19(16)24/h3-8,13H,9-12,14H2,1-2H3,(H,25,30).
What are the key properties of 3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 441.92 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 83276944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).