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

C23H24ClN3O4 — CID 83277160

IUPAC3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cccc(OCC(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2Cl)C3=O)c1
InChIInChI=1S/C23H24ClN3O4/c1-16-5-4-7-18(13-16)31-15-20(28)26-11-9-23(10-12-26)21(29)27(22(30)25-23)14-17-6-2-3-8-19(17)24/h2-8,13H,9-12,14-15H2,1H3,(H,25,30)
InChIKeyQACCRNMVIJVVPF-UHFFFAOYSA-N
MW441.92 g/mol
LogP3.14
Rot. Bonds5

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

3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 83277160) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID83277160
Molecular FormulaC23H24ClN3O4
Molecular Weight441.92 g/mol
Exact Mass441.15
IUPAC Name3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cccc(OCC(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2Cl)C3=O)c1
InChIInChI=1S/C23H24ClN3O4/c1-16-5-4-7-18(13-16)31-15-20(28)26-11-9-23(10-12-26)21(29)27(22(30)25-23)14-17-6-2-3-8-19(17)24/h2-8,13H,9-12,14-15H2,1H3,(H,25,30)
InChIKeyQACCRNMVIJVVPF-UHFFFAOYSA-N
XLogP3.14
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.92
LogP ≤ 53.14
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-[(3-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277156
8-[2-(2-chlorophenyl)acetyl]-3-[(2-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278758
3-[(2-chlorophenyl)methyl]-8-(4-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277512
3-[(2-chlorophenyl)methyl]-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276944
8-[2-(2-chlorophenyl)acetyl]-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278754
3-[(2,5-dimethylphenyl)methyl]-8-[2-(3-methoxyphenyl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276312
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493992
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
1-[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 50896124
3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 56824692
6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735171

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 83277160) is 3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cccc(OCC(=O)N2CCC3(CC2)NC(=O)N(Cc2ccccc2Cl)C3=O)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is QACCRNMVIJVVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-16-5-4-7-18(13-16)31-15-20(28)26-11-9-23(10-12-26)21(29)27(22(30)25-23)14-17-6-2-3-8-19(17)24/h2-8,13H,9-12,14-15H2,1H3,(H,25,30).
What are the key properties of 3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 441.92 g/mol, XLogP of 3.14, 5 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-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 83277160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).