N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide

C11H23N3O2 — CID 77015678

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

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide (PubChem CID 77015678) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
PubChem CID77015678
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
SMILESCCN(CCC(N)=NO)C(=O)C(C)C(C)C
InChIInChI=1S/C11H23N3O2/c1-5-14(7-6-10(12)13-16)11(15)9(4)8(2)3/h8-9,16H,5-7H2,1-4H3,(H2,12,13)
InChIKeyJSKDFPACFXLNNT-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-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310813
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299
1-(3-amino-3-hydroxyiminopropyl)-1,3-diethyl-3-methylurea
CID 79162393
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-phenylacetamide
CID 76935003
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015086
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethylbutanamide
CID 76929154
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide
CID 103022071

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide (CID 77015678) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide is CCN(CCC(N)=NO)C(=O)C(C)C(C)C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide?
The InChIKey is JSKDFPACFXLNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-14(7-6-10(12)13-16)11(15)9(4)8(2)3/h8-9,16H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide 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-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide is sourced from PubChem (CID 77015678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).