N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide

C11H21N3O3 — CID 77044603

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
SMILESCCOCC(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C11H21N3O3/c1-2-17-8-11(15)14(7-10(12)13-16)9-5-3-4-6-9/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyYIVHISZKRGAZTF-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.54
Rot. Bonds6

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide (PubChem CID 77044603) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
PubChem CID77044603
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide
SMILESCCOCC(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C11H21N3O3/c1-2-17-8-11(15)14(7-10(12)13-16)9-5-3-4-6-9/h9,16H,2-8H2,1H3,(H2,12,13)
InChIKeyYIVHISZKRGAZTF-UHFFFAOYSA-N
XLogP0.54
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.54
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-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide (CID 77044603) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide is CCOCC(=O)N(CC(N)=NO)C1CCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide?
The InChIKey is YIVHISZKRGAZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-17-8-11(15)14(7-10(12)13-16)9-5-3-4-6-9/h9,16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide has a molecular weight of 243.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethoxyacetamide is sourced from PubChem (CID 77044603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).