8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H33N3O4 — CID 26133932

IUPAC8-[(E)-3-(furan-2-yl)prop-2-enyl]-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(C/C=C/c4ccco4)CC3)C2=O)cc1
InChIInChI=1S/C26H33N3O4/c1-20(2)18-29-25(31)28(19-21-8-10-22(32-3)11-9-21)24(30)26(29)12-15-27(16-13-26)14-4-6-23-7-5-17-33-23/h4-11,17,20H,12-16,18-19H2,1-3H3/b6-4+
InChIKeyRHKZXZCHOIJNQJ-GQCTYLIASA-N
MW451.57 g/mol
LogP4.26
Rot. Bonds8

About 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26133932) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26133932
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name8-[(E)-3-(furan-2-yl)prop-2-enyl]-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(C/C=C/c4ccco4)CC3)C2=O)cc1
InChIInChI=1S/C26H33N3O4/c1-20(2)18-29-25(31)28(19-21-8-10-22(32-3)11-9-21)24(30)26(29)12-15-27(16-13-26)14-4-6-23-7-5-17-33-23/h4-11,17,20H,12-16,18-19H2,1-3H3/b6-4+
InChIKeyRHKZXZCHOIJNQJ-GQCTYLIASA-N
XLogP4.26
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2178158
CID 2178158
CID 49856083
CID 49856083
CID 1614302
CID 1614302
CID 1815367
CID 1815367
CID 2087630
CID 2087630
CID 9171870
CID 9171870
CID 166634148
CID 166634148
CID 750514
CID 750514
CID 2090468
CID 2090468
CID 4785701
CID 4785701
CID 662167
CID 662167
CID 1815206
CID 1815206

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26133932) is 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(E)-3-(furan-2-yl)prop-2-enyl]-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(C/C=C/c4ccco4)CC3)C2=O)cc1.
What is the InChIKey of 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RHKZXZCHOIJNQJ-GQCTYLIASA-N. The full InChI is InChI=1S/C26H33N3O4/c1-20(2)18-29-25(31)28(19-21-8-10-22(32-3)11-9-21)24(30)26(29)12-15-27(16-13-26)14-4-6-23-7-5-17-33-23/h4-11,17,20H,12-16,18-19H2,1-3H3/b6-4+.
What are the key properties of 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 451.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-3-(furan-2-yl)prop-2-enyl]-3-[(4-methoxyphenyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26133932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).