N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

C11H23N3O3 — CID 76920697

IUPACN-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCOCCNC(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-4-11(5-2,9(12)14-16)10(15)13-7-8-17-6-3/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyFOBLVBHKGDULOA-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.69
Rot. Bonds8

About N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76920697) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76920697
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCOCCNC(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-4-11(5-2,9(12)14-16)10(15)13-7-8-17-6-3/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyFOBLVBHKGDULOA-UHFFFAOYSA-N
XLogP0.69
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 76928560
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpropoxy)ethyl]-2-propylpentanamide
CID 104877299
N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 104864369
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106341719
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
2-(N'-hydroxycarbamimidoyl)-N-(3-propoxypropyl)-2-propylpentanamide
CID 82942363
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]butanamide
CID 76988657
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350525
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 106326721
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
CID 83023535
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(thian-4-ylmethyl)butanamide
CID 104866189
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920790

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76920697) is N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCOCCNC(=O)C(CC)(CC)C(N)=NO.
What is the InChIKey of N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is FOBLVBHKGDULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-11(5-2,9(12)14-16)10(15)13-7-8-17-6-3/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 245.32 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76920697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).