2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide

C20H20N4O7 — CID 159056671

IUPAC2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)C2(C(=O)N(C)C2=O)C1=O.CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C12H12N2O3.C8H8N2O4/c1-3-13-10(15)7-4-5-8-9(6-7)12(17)14(2)11(8)16;1-3-10-6(13)8(7(10)14)4(11)9(2)5(8)12/h4-6H,3H2,1-2H3,(H,13,15);3H2,1-2H3
InChIKeyJXYFJLVUULHSRB-UHFFFAOYSA-N
MW428.40 g/mol
LogP-0.98
Rot. Bonds3

About 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide

2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 159056671) has the molecular formula C20H20N4O7 and a molecular weight of 428.40 g/mol. Its IUPAC name is 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID159056671
Molecular FormulaC20H20N4O7
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC Name2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)C2(C(=O)N(C)C2=O)C1=O.CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C12H12N2O3.C8H8N2O4/c1-3-13-10(15)7-4-5-8-9(6-7)12(17)14(2)11(8)16;1-3-10-6(13)8(7(10)14)4(11)9(2)5(8)12/h4-6H,3H2,1-2H3,(H,13,15);3H2,1-2H3
InChIKeyJXYFJLVUULHSRB-UHFFFAOYSA-N
XLogP-0.98
TPSA141.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide 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-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 159056671) is 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide is CCN1C(=O)C2(C(=O)N(C)C2=O)C1=O.CCNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is JXYFJLVUULHSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.C8H8N2O4/c1-3-13-10(15)7-4-5-8-9(6-7)12(17)14(2)11(8)16;1-3-10-6(13)8(7(10)14)4(11)9(2)5(8)12/h4-6H,3H2,1-2H3,(H,13,15);3H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide?
2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 428.40 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;N-ethyl-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 159056671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).