2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide

C12H25N3O2 — CID 62694619

IUPAC2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide
SMILESCCC(C)CNC(=O)C(CC)(CC)/C(N)=N/O
InChIInChI=1S/C12H25N3O2/c1-5-9(4)8-14-11(16)12(6-2,7-3)10(13)15-17/h9,17H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKeyLDSHYJVQZQHDAB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.70
Rot. Bonds7

About 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide

2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide (PubChem CID 62694619) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide.

Molecular Properties

Compound Name2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide
PubChem CID62694619
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide
SMILESCCC(C)CNC(=O)C(CC)(CC)/C(N)=N/O
InChIInChI=1S/C12H25N3O2/c1-5-9(4)8-14-11(16)12(6-2,7-3)10(13)15-17/h9,17H,5-8H2,1-4H3,(H2,13,15)(H,14,16)
InChIKeyLDSHYJVQZQHDAB-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide?
The IUPAC name of 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide (CID 62694619) is 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide.
What is the SMILES notation for 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide?
The canonical SMILES for 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide is CCC(C)CNC(=O)C(CC)(CC)/C(N)=N/O.
What is the InChIKey of 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide?
The InChIKey is LDSHYJVQZQHDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-9(4)8-14-11(16)12(6-2,7-3)10(13)15-17/h9,17H,5-8H2,1-4H3,(H2,13,15)(H,14,16).
What are the key properties of 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide?
2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide has a molecular weight of 243.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-methylbutyl)butanamide is sourced from PubChem (CID 62694619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).