N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide

C9H19N3O2 — CID 76925722

IUPACN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C)NC(=O)C(CC)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-4-6(3)11-9(13)7(5-2)8(10)12-14/h6-7,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyHFFRURNMWOBHEY-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.67
Rot. Bonds5

About N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide

N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76925722) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76925722
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(C)NC(=O)C(CC)C(N)=NO
InChIInChI=1S/C9H19N3O2/c1-4-6(3)11-9(13)7(5-2)8(10)12-14/h6-7,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13)
InChIKeyHFFRURNMWOBHEY-UHFFFAOYSA-N
XLogP0.67
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.67
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

2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 77045420
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76928581
2-(N'-hydroxycarbamimidoyl)-N-(1-methylsulfinylpropan-2-yl)pentanamide
CID 104865915
N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924799
2-(N'-hydroxycarbamimidoyl)-N-(2,3,3-trimethylbutyl)butanamide
CID 83143925
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 55097504
3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide
CID 77070038
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79238531
2-(N'-hydroxycarbamimidoyl)-N-(5-methylsulfanylpentyl)butanamide
CID 114128844
N-[1-(3-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926301
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76925722) is N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(C)NC(=O)C(CC)C(N)=NO.
What is the InChIKey of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is HFFRURNMWOBHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-6(3)11-9(13)7(5-2)8(10)12-14/h6-7,14H,4-5H2,1-3H3,(H2,10,12)(H,11,13).
What are the key properties of N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 201.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76925722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).