N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide

C10H21N3O2 — CID 76929154

IUPACN-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide
SMILESCCC(CC)C(=O)N(CC)CC(N)=NO
InChIInChI=1S/C10H21N3O2/c1-4-8(5-2)10(14)13(6-3)7-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyWUKFMYCZIFKYAY-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.02
Rot. Bonds6

About N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide

N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide (PubChem CID 76929154) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide
PubChem CID76929154
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide
SMILESCCC(CC)C(=O)N(CC)CC(N)=NO
InChIInChI=1S/C10H21N3O2/c1-4-8(5-2)10(14)13(6-3)7-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyWUKFMYCZIFKYAY-UHFFFAOYSA-N
XLogP1.02
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-N-methylbutanamide
CID 76929346
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
CID 77015678
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnonanamide
CID 77069069
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclopentanecarboxamide
CID 76929255
N-(2-amino-2-hydroxyiminoethyl)-N-ethylcyclohexanecarboxamide
CID 76929305
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide
CID 82987182
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310813
N-[3-(dimethylamino)propyl]-N-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 102995709
1-(2-amino-2-hydroxyiminoethyl)-3-cyclobutyl-1-ethylurea
CID 104892229
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
CID 103102016
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide (CID 76929154) is N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide is CCC(CC)C(=O)N(CC)CC(N)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide?
The InChIKey is WUKFMYCZIFKYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-8(5-2)10(14)13(6-3)7-9(11)12-15/h8,15H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide?
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide has a molecular weight of 215.30 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide is sourced from PubChem (CID 76929154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).