8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C31H33N3O5 — CID 59169897

IUPAC8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc3c1oc1ccccc13)CC2
InChIInChI=1S/C31H33N3O5/c1-37-18-17-34-30(36)33(20-22-7-5-9-24(19-22)38-2)29(35)31(34)13-15-32(16-14-31)21-23-8-6-11-26-25-10-3-4-12-27(25)39-28(23)26/h3-12,19H,13-18,20-21H2,1-2H3
InChIKeyBCBQOZGYAYPJEM-UHFFFAOYSA-N
MW527.62 g/mol
LogP5.04
Rot. Bonds8

About 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 59169897) has the molecular formula C31H33N3O5 and a molecular weight of 527.62 g/mol. Its IUPAC name is 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID59169897
Molecular FormulaC31H33N3O5
Molecular Weight527.62 g/mol
Exact Mass527.24
IUPAC Name8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc3c1oc1ccccc13)CC2
InChIInChI=1S/C31H33N3O5/c1-37-18-17-34-30(36)33(20-22-7-5-9-24(19-22)38-2)29(35)31(34)13-15-32(16-14-31)21-23-8-6-11-26-25-10-3-4-12-27(25)39-28(23)26/h3-12,19H,13-18,20-21H2,1-2H3
InChIKeyBCBQOZGYAYPJEM-UHFFFAOYSA-N
XLogP5.04
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.62
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 59169897) is 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(Cc1cccc3c1oc1ccccc13)CC2.
What is the InChIKey of 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is BCBQOZGYAYPJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O5/c1-37-18-17-34-30(36)33(20-22-7-5-9-24(19-22)38-2)29(35)31(34)13-15-32(16-14-31)21-23-8-6-11-26-25-10-3-4-12-27(25)39-28(23)26/h3-12,19H,13-18,20-21H2,1-2H3.
What are the key properties of 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 527.62 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dibenzofuran-4-ylmethyl)-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 59169897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).