8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C28H35N3O4 — CID 26136356

IUPAC8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4ccc5c(c4)CCO5)CC3)C2=O)cc1
InChIInChI=1S/C28H35N3O4/c1-20(2)17-31-27(33)30(19-21-4-7-24(34-3)8-5-21)26(32)28(31)11-13-29(14-12-28)18-22-6-9-25-23(16-22)10-15-35-25/h4-9,16,20H,10-15,17-19H2,1-3H3
InChIKeyUZIVZRPNHALXQB-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.09
Rot. Bonds7

About 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26136356) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26136356
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC Name8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4ccc5c(c4)CCO5)CC3)C2=O)cc1
InChIInChI=1S/C28H35N3O4/c1-20(2)17-31-27(33)30(19-21-4-7-24(34-3)8-5-21)26(32)28(31)11-13-29(14-12-28)18-22-6-9-25-23(16-22)10-15-35-25/h4-9,16,20H,10-15,17-19H2,1-3H3
InChIKeyUZIVZRPNHALXQB-UHFFFAOYSA-N
XLogP4.09
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26136356) is 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(CN2C(=O)N(CC(C)C)C3(CCN(Cc4ccc5c(c4)CCO5)CC3)C2=O)cc1.
What is the InChIKey of 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is UZIVZRPNHALXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-20(2)17-31-27(33)30(19-21-4-7-24(34-3)8-5-21)26(32)28(31)11-13-29(14-12-28)18-22-6-9-25-23(16-22)10-15-35-25/h4-9,16,20H,10-15,17-19H2,1-3H3.
What are the key properties of 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 477.61 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26136356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).