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

C12H25N3O3 — CID 104864369

IUPACN-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCOC(C)CNC(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C12H25N3O3/c1-5-12(6-2,10(13)15-17)11(16)14-8-9(4)18-7-3/h9,17H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKeyQGZWSXZBGNWXBZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.08
Rot. Bonds8

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

N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 104864369) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID104864369
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCOC(C)CNC(=O)C(CC)(CC)C(N)=NO
InChIInChI=1S/C12H25N3O3/c1-5-12(6-2,10(13)15-17)11(16)14-8-9(4)18-7-3/h9,17H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKeyQGZWSXZBGNWXBZ-UHFFFAOYSA-N
XLogP1.08
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
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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Related Compounds

2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylbutoxy)ethyl]butanamide
CID 76928560
N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920697
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,3,3-trimethylbutyl)pentanamide
CID 83142236
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methylpentan-3-yl)butanamide
CID 76921401
N-[2-(dimethylamino)propyl]-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 76928663
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350525
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
N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76929727
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106341719

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 104864369) is N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCOC(C)CNC(=O)C(CC)(CC)C(N)=NO.
What is the InChIKey of N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is QGZWSXZBGNWXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-12(6-2,10(13)15-17)11(16)14-8-9(4)18-7-3/h9,17H,5-8H2,1-4H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 259.35 g/mol, XLogP of 1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxypropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 104864369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).