N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide

C10H21N3O3 — CID 103940490

IUPACN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C10H21N3O3/c1-6(2)9(10(11)13-15)12-8(14)5-16-7(3)4/h6-7,9,15H,5H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyBNNABPXOYJRIEO-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.30
Rot. Bonds6

About N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide (PubChem CID 103940490) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
PubChem CID103940490
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)NC(C(N)=NO)C(C)C
InChIInChI=1S/C10H21N3O3/c1-6(2)9(10(11)13-15)12-8(14)5-16-7(3)4/h6-7,9,15H,5H2,1-4H3,(H2,11,13)(H,12,14)
InChIKeyBNNABPXOYJRIEO-UHFFFAOYSA-N
XLogP0.30
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide (CID 103940490) is N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)NC(C(N)=NO)C(C)C.
What is the InChIKey of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide?
The InChIKey is BNNABPXOYJRIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-6(2)9(10(11)13-15)12-8(14)5-16-7(3)4/h6-7,9,15H,5H2,1-4H3,(H2,11,13)(H,12,14).
What are the key properties of N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide?
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide has a molecular weight of 231.30 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 103940490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).