2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide

C9H20N2O3 — CID 170966364

IUPAC2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide
SMILESCOCC(C)(C)CON(C)CC(N)=O
InChIInChI=1S/C9H20N2O3/c1-9(2,6-13-4)7-14-11(3)5-8(10)12/h5-7H2,1-4H3,(H2,10,12)
InChIKeySZBJFWNREHYHBU-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.01
Rot. Bonds7

About 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide

2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide (PubChem CID 170966364) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide
PubChem CID170966364
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide
SMILESCOCC(C)(C)CON(C)CC(N)=O
InChIInChI=1S/C9H20N2O3/c1-9(2,6-13-4)7-14-11(3)5-8(10)12/h5-7H2,1-4H3,(H2,10,12)
InChIKeySZBJFWNREHYHBU-UHFFFAOYSA-N
XLogP0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide?
The IUPAC name of 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide (CID 170966364) is 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide.
What is the SMILES notation for 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide?
The canonical SMILES for 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide is COCC(C)(C)CON(C)CC(N)=O.
What is the InChIKey of 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide?
The InChIKey is SZBJFWNREHYHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-9(2,6-13-4)7-14-11(3)5-8(10)12/h5-7H2,1-4H3,(H2,10,12).
What are the key properties of 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide?
2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide has a molecular weight of 204.27 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2,2-dimethylpropoxy)-methylamino]acetamide is sourced from PubChem (CID 170966364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).