2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide

C12H25N3O2 — CID 113270772

IUPAC2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
SMILESCCC(C)(C(=O)N(C)C(C)C(C)C)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-7-12(5,10(13)14-17)11(16)15(6)9(4)8(2)3/h8-9,17H,7H2,1-6H3,(H2,13,14)
InChIKeyHOGSBRCKGOCEOQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.65
Rot. Bonds5

About 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide

2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide (PubChem CID 113270772) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
PubChem CID113270772
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
SMILESCCC(C)(C(=O)N(C)C(C)C(C)C)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-7-12(5,10(13)14-17)11(16)15(6)9(4)8(2)3/h8-9,17H,7H2,1-6H3,(H2,13,14)
InChIKeyHOGSBRCKGOCEOQ-UHFFFAOYSA-N
XLogP1.65
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.65
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'}

Analyze 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide (CID 113270772) is 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide is CCC(C)(C(=O)N(C)C(C)C(C)C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide?
The InChIKey is HOGSBRCKGOCEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-7-12(5,10(13)14-17)11(16)15(6)9(4)8(2)3/h8-9,17H,7H2,1-6H3,(H2,13,14).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide?
2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide has a molecular weight of 243.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N,2-dimethyl-N-(3-methylbutan-2-yl)butanamide is sourced from PubChem (CID 113270772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).