N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide

C11H23N3O2 — CID 104873798

IUPACN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-8(6-2)9(15)13-7-11(3,4)10(12)14-16/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyDTUFJZHNOJRGCE-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.31
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide

N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide (PubChem CID 104873798) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
PubChem CID104873798
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-8(6-2)9(15)13-7-11(3,4)10(12)14-16/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15)
InChIKeyDTUFJZHNOJRGCE-UHFFFAOYSA-N
XLogP1.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.31
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-3-hydroxyimino-2,2-dimethylpropyl)-3-methylpentanamide
CID 104982329
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-3-methylsulfanylpropanamide
CID 104873806
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide
CID 104873808
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-1-methylpyrazole-3-carboxamide
CID 103121644
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
CID 104873764
N-(2,2-dimethylpropyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76924799
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide
CID 114103840
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 106279632
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811148
N'-hydroxy-2,2-dimethyl-3-[[methyl(propan-2-yl)sulfamoyl]amino]propanimidamide
CID 104873849
N-(5-chloro-2,2-dimethylpentyl)-2-ethylbutanamide
CID 106144319

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide (CID 104873798) is N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide is CCC(CC)C(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide?
The InChIKey is DTUFJZHNOJRGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-8(6-2)9(15)13-7-11(3,4)10(12)14-16/h8,16H,5-7H2,1-4H3,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide?
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-2-ethylbutanamide is sourced from PubChem (CID 104873798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).