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

C7H15N3O2 — CID 76920790

IUPAC2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(N)=O)C(N)=NO
InChIInChI=1S/C7H15N3O2/c1-3-7(4-2,6(9)11)5(8)10-12/h12H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyBPDSYUDREZLVEZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.02
Rot. Bonds4

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

2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76920790) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76920790
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(N)=O)C(N)=NO
InChIInChI=1S/C7H15N3O2/c1-3-7(4-2,6(9)11)5(8)10-12/h12H,3-4H2,1-2H3,(H2,8,10)(H2,9,11)
InChIKeyBPDSYUDREZLVEZ-UHFFFAOYSA-N
XLogP0.02
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.02
H-Bond Donors ≤ 53
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-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
2-(dimethylaminocarbamoyl)-2-ethyl-N'-hydroxybutanimidamide
CID 83023535
N-butyl-N,2-diethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920876
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-methylpentan-3-yl)butanamide
CID 76921401
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79350525
N-(2-ethoxyethyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920697
N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
CID 76921421
N-(3,5-dimethylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919947
N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
CID 76921580
N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921205
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106341719
N-[1-(diethylamino)propan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76929727

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76920790) is 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(CC)(C(N)=O)C(N)=NO.
What is the InChIKey of 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is BPDSYUDREZLVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-3-7(4-2,6(9)11)5(8)10-12/h12H,3-4H2,1-2H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 173.22 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76920790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).