N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide

C9H19N3O3 — CID 76910895

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-4-15-6-8(13)12(3)5-7(2)9(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyDDIWQSGROLYWTO-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.14
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide (PubChem CID 76910895) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide
PubChem CID76910895
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide
SMILESCCOCC(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C9H19N3O3/c1-4-15-6-8(13)12(3)5-7(2)9(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11)
InChIKeyDDIWQSGROLYWTO-UHFFFAOYSA-N
XLogP-0.14
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.14
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-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide (CID 76910895) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide is CCOCC(=O)N(C)CC(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide?
The InChIKey is DDIWQSGROLYWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-4-15-6-8(13)12(3)5-7(2)9(10)11-14/h7,14H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide has a molecular weight of 217.27 g/mol, XLogP of -0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethoxy-N-methylacetamide is sourced from PubChem (CID 76910895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).