N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide

C10H21N3O2 — CID 76934679

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)CC(N)=NO
InChIInChI=1S/C10H21N3O2/c1-4-8(5-2)10(14)12-7(3)6-9(11)13-15/h7-8,15H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyHTJOPQHKTUMLIV-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.06
Rot. Bonds6

About N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide (PubChem CID 76934679) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
PubChem CID76934679
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC(C)CC(N)=NO
InChIInChI=1S/C10H21N3O2/c1-4-8(5-2)10(14)12-7(3)6-9(11)13-15/h7-8,15H,4-6H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyHTJOPQHKTUMLIV-UHFFFAOYSA-N
XLogP1.06
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide (CID 76934679) is N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide is CCC(CC)C(=O)NC(C)CC(N)=NO.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide?
The InChIKey is HTJOPQHKTUMLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-4-8(5-2)10(14)12-7(3)6-9(11)13-15/h7-8,15H,4-6H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide has a molecular weight of 215.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 76934679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).