2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide

C15H24N4O4 — CID 134486903

IUPAC2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide
SMILESCC(=O)N1CCCC12CN(CC(=O)NC(C(N)=O)C(C)C)C2=O
InChIInChI=1S/C15H24N4O4/c1-9(2)12(13(16)22)17-11(21)7-18-8-15(14(18)23)5-4-6-19(15)10(3)20/h9,12H,4-8H2,1-3H3,(H2,16,22)(H,17,21)
InChIKeyWKAJVTJJOUZJSO-UHFFFAOYSA-N
MW324.38 g/mol
LogP-1.16
Rot. Bonds5

About 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide

2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide (PubChem CID 134486903) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide
PubChem CID134486903
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide
SMILESCC(=O)N1CCCC12CN(CC(=O)NC(C(N)=O)C(C)C)C2=O
InChIInChI=1S/C15H24N4O4/c1-9(2)12(13(16)22)17-11(21)7-18-8-15(14(18)23)5-4-6-19(15)10(3)20/h9,12H,4-8H2,1-3H3,(H2,16,22)(H,17,21)
InChIKeyWKAJVTJJOUZJSO-UHFFFAOYSA-N
XLogP-1.16
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide (CID 134486903) is 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide is CC(=O)N1CCCC12CN(CC(=O)NC(C(N)=O)C(C)C)C2=O.
What is the InChIKey of 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide?
The InChIKey is WKAJVTJJOUZJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-9(2)12(13(16)22)17-11(21)7-18-8-15(14(18)23)5-4-6-19(15)10(3)20/h9,12H,4-8H2,1-3H3,(H2,16,22)(H,17,21).
What are the key properties of 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide?
2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide has a molecular weight of 324.38 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 134486903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).