2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide

C15H23N3O2 — CID 114292506

IUPAC2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(C)(C(=O)Nc1c(C)cc(C)cc1C)C(N)=NO
InChIInChI=1S/C15H23N3O2/c1-6-15(5,13(16)18-20)14(19)17-12-10(3)7-9(2)8-11(12)4/h7-8,20H,6H2,1-5H3,(H2,16,18)(H,17,19)
InChIKeyAIIYJYYERLOBBV-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.71
Rot. Bonds4

About 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide

2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 114292506) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID114292506
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCCC(C)(C(=O)Nc1c(C)cc(C)cc1C)C(N)=NO
InChIInChI=1S/C15H23N3O2/c1-6-15(5,13(16)18-20)14(19)17-12-10(3)7-9(2)8-11(12)4/h7-8,20H,6H2,1-5H3,(H2,16,18)(H,17,19)
InChIKeyAIIYJYYERLOBBV-UHFFFAOYSA-N
XLogP2.71
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.71
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-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide (CID 114292506) is 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide is CCC(C)(C(=O)Nc1c(C)cc(C)cc1C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is AIIYJYYERLOBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-6-15(5,13(16)18-20)14(19)17-12-10(3)7-9(2)8-11(12)4/h7-8,20H,6H2,1-5H3,(H2,16,18)(H,17,19).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide?
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 277.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 114292506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).