N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide

C11H23N3O2 — CID 82987182

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CC(N)=NO
InChIInChI=1S/C11H23N3O2/c1-4-6-9(7-5-2)11(15)14(3)8-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyOIYROXMBCJSQRX-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.41
Rot. Bonds7

About N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide

N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide (PubChem CID 82987182) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide
PubChem CID82987182
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(C)CC(N)=NO
InChIInChI=1S/C11H23N3O2/c1-4-6-9(7-5-2)11(15)14(3)8-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyOIYROXMBCJSQRX-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.41
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
ethyl N-(2-amino-2-hydroxyiminoethyl)-N-methylcarbamate
CID 76929212
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide
CID 76929154
N-(2-amino-2-hydroxyiminoethyl)-N-methyldodecanamide
CID 77069052
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propoxyacetamide
CID 107940532
3-[methyl(2-propylpentanoyl)amino]propanoic acid
CID 82985471
N-(cyanomethyl)-N-methyl-2-propylpentanamide
CID 115532829
N-(2-amino-2-oxoethyl)-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76926674
N-(2-amino-2-hydroxyiminoethyl)-N,3,3-trimethylbutanamide
CID 76929143
N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
CID 107202800
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 76923694

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide (CID 82987182) is N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide is CCCC(CCC)C(=O)N(C)CC(N)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide?
The InChIKey is OIYROXMBCJSQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-6-9(7-5-2)11(15)14(3)8-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-2-propylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.41, 7 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-methyl-2-propylpentanamide is sourced from PubChem (CID 82987182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).