N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide

C12H25N3O2 — CID 114212897

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
SMILESCC(C)C(NC(=O)CCC(C)(C)C)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-8(2)10(11(13)15-17)14-9(16)6-7-12(3,4)5/h8,10,17H,6-7H2,1-5H3,(H2,13,15)(H,14,16)
InChIKeyWNUPPWIJGXFTDV-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.70
Rot. Bonds5

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide (PubChem CID 114212897) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
PubChem CID114212897
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide
SMILESCC(C)C(NC(=O)CCC(C)(C)C)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-8(2)10(11(13)15-17)14-9(16)6-7-12(3,4)5/h8,10,17H,6-7H2,1-5H3,(H2,13,15)(H,14,16)
InChIKeyWNUPPWIJGXFTDV-UHFFFAOYSA-N
XLogP1.70
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 77038692
(2R)-2-(4,4-dimethylpentanoylamino)-3-methylbutanoic acid
CID 119368120
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-methylsulfanylpropanamide
CID 77038778
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 103940490
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022130
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-cyclopentylacetamide
CID 77038541
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propoxyacetamide
CID 107940590
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3-(oxan-2-yl)propanamide
CID 77038460
3-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,1-dimethylurea
CID 79153319
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpentanamide
CID 77038862
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
CID 77038382
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 77039237

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide (CID 114212897) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide is CC(C)C(NC(=O)CCC(C)(C)C)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide?
The InChIKey is WNUPPWIJGXFTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-8(2)10(11(13)15-17)14-9(16)6-7-12(3,4)5/h8,10,17H,6-7H2,1-5H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 114212897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).