4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione

C21H29NO4 — CID 20530950

IUPAC4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione
SMILESCCCCCC(CCN1C(=O)CC2OC(=O)CC21)OCc1ccccc1
InChIInChI=1S/C21H29NO4/c1-2-3-5-10-17(25-15-16-8-6-4-7-9-16)11-12-22-18-13-21(24)26-19(18)14-20(22)23/h4,6-9,17-19H,2-3,5,10-15H2,1H3
InChIKeyBPXMZOYCOXONSY-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.46
Rot. Bonds10

About 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione

4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione (PubChem CID 20530950) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione.

Molecular Properties

Compound Name4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione
PubChem CID20530950
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione
SMILESCCCCCC(CCN1C(=O)CC2OC(=O)CC21)OCc1ccccc1
InChIInChI=1S/C21H29NO4/c1-2-3-5-10-17(25-15-16-8-6-4-7-9-16)11-12-22-18-13-21(24)26-19(18)14-20(22)23/h4,6-9,17-19H,2-3,5,10-15H2,1H3
InChIKeyBPXMZOYCOXONSY-UHFFFAOYSA-N
XLogP3.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione 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 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione?
The IUPAC name of 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione (CID 20530950) is 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione.
What is the SMILES notation for 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione?
The canonical SMILES for 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione is CCCCCC(CCN1C(=O)CC2OC(=O)CC21)OCc1ccccc1.
What is the InChIKey of 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione?
The InChIKey is BPXMZOYCOXONSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-2-3-5-10-17(25-15-16-8-6-4-7-9-16)11-12-22-18-13-21(24)26-19(18)14-20(22)23/h4,6-9,17-19H,2-3,5,10-15H2,1H3.
What are the key properties of 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione?
4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione has a molecular weight of 359.47 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxyoctyl)-3,3a,6,6a-tetrahydrofuro[3,2-b]pyrrole-2,5-dione is sourced from PubChem (CID 20530950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).