N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide

C9H19N3O3 — CID 76910557

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide
SMILESCCOCC(=O)N(CC)CCC(N)=NO
InChIInChI=1S/C9H19N3O3/c1-3-12(6-5-8(10)11-14)9(13)7-15-4-2/h14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyKWUDPDJSZADEQF-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.01
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide

N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide (PubChem CID 76910557) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide
PubChem CID76910557
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide
SMILESCCOCC(=O)N(CC)CCC(N)=NO
InChIInChI=1S/C9H19N3O3/c1-3-12(6-5-8(10)11-14)9(13)7-15-4-2/h14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyKWUDPDJSZADEQF-UHFFFAOYSA-N
XLogP0.01
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.01
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-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide (CID 76910557) is N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide is CCOCC(=O)N(CC)CCC(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide?
The InChIKey is KWUDPDJSZADEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-3-12(6-5-8(10)11-14)9(13)7-15-4-2/h14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide has a molecular weight of 217.27 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2-ethoxy-N-ethylacetamide is sourced from PubChem (CID 76910557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).