2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide

C9H18N4O2 — CID 104601260

IUPAC2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCCN(N)C1=O
InChIInChI=1S/C9H18N4O2/c1-3-11(2)8(14)7-12-5-4-6-13(10)9(12)15/h3-7,10H2,1-2H3
InChIKeySLIBLHCPBCCBLB-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.53
Rot. Bonds3

About 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide

2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide (PubChem CID 104601260) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide
PubChem CID104601260
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCCN(N)C1=O
InChIInChI=1S/C9H18N4O2/c1-3-11(2)8(14)7-12-5-4-6-13(10)9(12)15/h3-7,10H2,1-2H3
InChIKeySLIBLHCPBCCBLB-UHFFFAOYSA-N
XLogP-0.53
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-propyl-1,3-diazinan-2-one
CID 104601098
N-ethyl-N-methyl-2-(4-oxopiperidin-1-yl)acetamide
CID 43309728
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide
CID 112594273
2-[4-[2-[ethyl(methyl)amino]-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 62822911
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671
N-ethyl-N-methyl-2-(2-oxo-3-propylpiperazin-1-yl)acetamide
CID 172611657
ethyl 2-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetate
CID 21311677
2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide
CID 104601172
N-ethyl-N-methyl-2-[2-(2-oxocyclohexyl)piperidin-1-yl]acetamide
CID 79553575
N-ethyl-2-[(5Z)-5-hydroxyimino-3,4-dihydro-2H-1-benzazepin-1-yl]-N-methylacetamide
CID 114337176
2-methyl-3-[methyl-[2-(2-oxopyrrolidin-1-yl)acetyl]amino]propanoic acid
CID 55007881

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide (CID 104601260) is 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1CCCN(N)C1=O.
What is the InChIKey of 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide?
The InChIKey is SLIBLHCPBCCBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-3-11(2)8(14)7-12-5-4-6-13(10)9(12)15/h3-7,10H2,1-2H3.
What are the key properties of 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide?
2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide has a molecular weight of 214.27 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 104601260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).