butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate

C19H27NO4 — CID 171828725

IUPACbutyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate
SMILESCCCCOC(=O)[C@@]1(C)C(=O)N(CC)CC12C=C(C)C(=O)C(C)=C2
InChIInChI=1S/C19H27NO4/c1-6-8-9-24-17(23)18(5)16(22)20(7-2)12-19(18)10-13(3)15(21)14(4)11-19/h10-11H,6-9,12H2,1-5H3/t18-/m1/s1
InChIKeyJGILWOSNLUTWOW-GOSISDBHSA-N
MW333.43 g/mol
LogP2.66
Rot. Bonds5

About butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate

butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate (PubChem CID 171828725) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate.

Molecular Properties

Compound Namebutyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate
PubChem CID171828725
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Namebutyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate
SMILESCCCCOC(=O)[C@@]1(C)C(=O)N(CC)CC12C=C(C)C(=O)C(C)=C2
InChIInChI=1S/C19H27NO4/c1-6-8-9-24-17(23)18(5)16(22)20(7-2)12-19(18)10-13(3)15(21)14(4)11-19/h10-11H,6-9,12H2,1-5H3/t18-/m1/s1
InChIKeyJGILWOSNLUTWOW-GOSISDBHSA-N
XLogP2.66
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate 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 butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate?
The IUPAC name of butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate (CID 171828725) is butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate.
What is the SMILES notation for butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate?
The canonical SMILES for butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate is CCCCOC(=O)[C@@]1(C)C(=O)N(CC)CC12C=C(C)C(=O)C(C)=C2.
What is the InChIKey of butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate?
The InChIKey is JGILWOSNLUTWOW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H27NO4/c1-6-8-9-24-17(23)18(5)16(22)20(7-2)12-19(18)10-13(3)15(21)14(4)11-19/h10-11H,6-9,12H2,1-5H3/t18-/m1/s1.
What are the key properties of butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate?
butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (4R)-2-ethyl-4,7,9-trimethyl-3,8-dioxo-2-azaspiro[4.5]deca-6,9-diene-4-carboxylate is sourced from PubChem (CID 171828725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).