3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide

C9H17N3O2 — CID 106347667

IUPAC3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
SMILESCC(C)C(C(N)=O)N1CCCNC1=O
InChIInChI=1S/C9H17N3O2/c1-6(2)7(8(10)13)12-5-3-4-11-9(12)14/h6-7H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyZMDIRJTVQAJPDZ-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.09
Rot. Bonds3

About 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide

3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide (PubChem CID 106347667) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
PubChem CID106347667
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
SMILESCC(C)C(C(N)=O)N1CCCNC1=O
InChIInChI=1S/C9H17N3O2/c1-6(2)7(8(10)13)12-5-3-4-11-9(12)14/h6-7H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyZMDIRJTVQAJPDZ-UHFFFAOYSA-N
XLogP-0.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide?
The IUPAC name of 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide (CID 106347667) is 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide.
What is the SMILES notation for 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide?
The canonical SMILES for 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide is CC(C)C(C(N)=O)N1CCCNC1=O.
What is the InChIKey of 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide?
The InChIKey is ZMDIRJTVQAJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6(2)7(8(10)13)12-5-3-4-11-9(12)14/h6-7H,3-5H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide?
3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide has a molecular weight of 199.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide is sourced from PubChem (CID 106347667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).