N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide

C11H23N3O2 — CID 76910816

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-9(6-2)11(15)14(4)7-8(3)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyDKESMVGUNFUPTB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.26
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide (PubChem CID 76910816) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
PubChem CID76910816
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)CC(C)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-5-9(6-2)11(15)14(4)7-8(3)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyDKESMVGUNFUPTB-UHFFFAOYSA-N
XLogP1.26
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.26
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'}

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Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-N-methylbutanamide
CID 76929346
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methylpropyl)butanamide
CID 76925488
3-[2-ethylbutyl(methyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 82927481
tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
CID 75834024
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 76910906
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002899
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
N'-hydroxy-2-methyl-3-[methyl(2-methylpropyl)amino]propanimidamide
CID 43272171
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2,4,5-tetramethylfuran-3-carboxamide
CID 77057561
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 104928884
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromo-N-methylbenzamide
CID 54991938

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide (CID 76910816) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)CC(C)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide?
The InChIKey is DKESMVGUNFUPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-9(6-2)11(15)14(4)7-8(3)10(12)13-16/h8-9,16H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide has a molecular weight of 229.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 76910816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).