ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate

C15H24N2O5 — CID 14371812

IUPACethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate
SMILESCCOC(=O)CCCN1CCC2(CC1)CC(=O)N(OC)C2=O
InChIInChI=1S/C15H24N2O5/c1-3-22-13(19)5-4-8-16-9-6-15(7-10-16)11-12(18)17(21-2)14(15)20/h3-11H2,1-2H3
InChIKeyYPPJMJZFIPRCRF-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.73
Rot. Bonds6

About ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate

ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate (PubChem CID 14371812) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate
PubChem CID14371812
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Nameethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate
SMILESCCOC(=O)CCCN1CCC2(CC1)CC(=O)N(OC)C2=O
InChIInChI=1S/C15H24N2O5/c1-3-22-13(19)5-4-8-16-9-6-15(7-10-16)11-12(18)17(21-2)14(15)20/h3-11H2,1-2H3
InChIKeyYPPJMJZFIPRCRF-UHFFFAOYSA-N
XLogP0.73
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate?
The IUPAC name of ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate (CID 14371812) is ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate.
What is the SMILES notation for ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate?
The canonical SMILES for ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate is CCOC(=O)CCCN1CCC2(CC1)CC(=O)N(OC)C2=O.
What is the InChIKey of ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate?
The InChIKey is YPPJMJZFIPRCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-3-22-13(19)5-4-8-16-9-6-15(7-10-16)11-12(18)17(21-2)14(15)20/h3-11H2,1-2H3.
What are the key properties of ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate?
ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate has a molecular weight of 312.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decan-8-yl)butanoate is sourced from PubChem (CID 14371812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).