8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C24H28N2O4 — CID 75360563

IUPAC8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCc1ccccc1
InChIInChI=1S/C24H28N2O4/c27-22(12-11-19-7-3-1-4-8-19)26-21(23(28)29)18-30-24(26)13-15-25(16-14-24)17-20-9-5-2-6-10-20/h1-10,21H,11-18H2,(H,28,29)
InChIKeyLYDOBUMXCZQQFC-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.92
Rot. Bonds6

About 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 75360563) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID75360563
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCc1ccccc1
InChIInChI=1S/C24H28N2O4/c27-22(12-11-19-7-3-1-4-8-19)26-21(23(28)29)18-30-24(26)13-15-25(16-14-24)17-20-9-5-2-6-10-20/h1-10,21H,11-18H2,(H,28,29)
InChIKeyLYDOBUMXCZQQFC-UHFFFAOYSA-N
XLogP2.92
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 75360563) is 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)CCc1ccccc1.
What is the InChIKey of 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is LYDOBUMXCZQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-22(12-11-19-7-3-1-4-8-19)26-21(23(28)29)18-30-24(26)13-15-25(16-14-24)17-20-9-5-2-6-10-20/h1-10,21H,11-18H2,(H,28,29).
What are the key properties of 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 408.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-(3-phenylpropanoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 75360563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).