2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione

C23H32N2O4 — CID 18966575

IUPAC2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCCC3)C1=O)CO2
InChIInChI=1S/C23H32N2O4/c1-28-19-8-7-9-20-18(19)14-17(16-29-20)24-12-5-6-13-25-21(26)15-23(22(25)27)10-3-2-4-11-23/h7-9,17,24H,2-6,10-16H2,1H3
InChIKeyCETCFFBTIXAPDT-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione

2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 18966575) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID18966575
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESCOc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCCC3)C1=O)CO2
InChIInChI=1S/C23H32N2O4/c1-28-19-8-7-9-20-18(19)14-17(16-29-20)24-12-5-6-13-25-21(26)15-23(22(25)27)10-3-2-4-11-23/h7-9,17,24H,2-6,10-16H2,1H3
InChIKeyCETCFFBTIXAPDT-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-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 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione (CID 18966575) is 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione is COc1cccc2c1CC(NCCCCN1C(=O)CC3(CCCCC3)C1=O)CO2.
What is the InChIKey of 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is CETCFFBTIXAPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-28-19-8-7-9-20-18(19)14-17(16-29-20)24-12-5-6-13-25-21(26)15-23(22(25)27)10-3-2-4-11-23/h7-9,17,24H,2-6,10-16H2,1H3.
What are the key properties of 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 400.52 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)amino]butyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 18966575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).