N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide

C9H19N3O3 — CID 103022083

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-6(7(10)11-14)12(4)8(13)9(2,3)15-5/h6,14H,1-5H3,(H2,10,11)
InChIKeyZODLUSAPJMONRC-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.00
Rot. Bonds4

About N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide (PubChem CID 103022083) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide
PubChem CID103022083
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)C(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-6(7(10)11-14)12(4)8(13)9(2,3)15-5/h6,14H,1-5H3,(H2,10,11)
InChIKeyZODLUSAPJMONRC-UHFFFAOYSA-N
XLogP0.00
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide (CID 103022083) is N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide is COC(C)(C)C(=O)N(C)C(C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide?
The InChIKey is ZODLUSAPJMONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-6(7(10)11-14)12(4)8(13)9(2,3)15-5/h6,14H,1-5H3,(H2,10,11).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide has a molecular weight of 217.27 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-2-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103022083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).