N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide

C11H23N3O2 — CID 104982299

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
SMILESCCC(C)CC(=O)N(CC)CCC(N)=NO
InChIInChI=1S/C11H23N3O2/c1-4-9(3)8-11(15)14(5-2)7-6-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyZQGREFPEQZLGAS-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.41
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide (PubChem CID 104982299) 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-3-methylpentanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
PubChem CID104982299
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
SMILESCCC(C)CC(=O)N(CC)CCC(N)=NO
InChIInChI=1S/C11H23N3O2/c1-4-9(3)8-11(15)14(5-2)7-6-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13)
InChIKeyZQGREFPEQZLGAS-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.41
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'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
CID 104982302
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
CID 77015678
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015086
N-(3-amino-3-hydroxyiminopropyl)-3-ethoxy-N-ethylpropanamide
CID 76946924
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylsulfonylpropanamide
CID 104521764
N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide
CID 76910488
1-(3-amino-3-hydroxyiminopropyl)-1,3-diethyl-3-methylurea
CID 79162393
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310813
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-(2-methylphenyl)acetamide
CID 54992509

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide (CID 104982299) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide is CCC(C)CC(=O)N(CC)CCC(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide?
The InChIKey is ZQGREFPEQZLGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-9(3)8-11(15)14(5-2)7-6-10(12)13-16/h9,16H,4-8H2,1-3H3,(H2,12,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.41, 7 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-3-methylpentanamide is sourced from PubChem (CID 104982299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).