8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione

C24H34N2O4 — CID 10409556

IUPAC8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1cccc2c1CC(CNCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2
InChIInChI=1S/C24H34N2O4/c1-29-20-7-6-8-21-19(20)13-18(17-30-21)16-25-11-4-5-12-26-22(27)14-24(15-23(26)28)9-2-3-10-24/h6-8,18,25H,2-5,9-17H2,1H3
InChIKeySPJPXOJVCGSOOK-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.33
Rot. Bonds8

About 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione

8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10409556) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10409556
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1cccc2c1CC(CNCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2
InChIInChI=1S/C24H34N2O4/c1-29-20-7-6-8-21-19(20)13-18(17-30-21)16-25-11-4-5-12-26-22(27)14-24(15-23(26)28)9-2-3-10-24/h6-8,18,25H,2-5,9-17H2,1H3
InChIKeySPJPXOJVCGSOOK-UHFFFAOYSA-N
XLogP3.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.33
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10409556) is 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione is COc1cccc2c1CC(CNCCCCN1C(=O)CC3(CCCC3)CC1=O)CO2.
What is the InChIKey of 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is SPJPXOJVCGSOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-29-20-7-6-8-21-19(20)13-18(17-30-21)16-25-11-4-5-12-26-22(27)14-24(15-23(26)28)9-2-3-10-24/h6-8,18,25H,2-5,9-17H2,1H3.
What are the key properties of 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 414.55 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10409556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).