N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide

C10H18F3N3O3 — CID 77099579

IUPACN-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
SMILESCOCCN(CCC(N)=NO)C(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3N3O3/c1-19-7-6-16(5-3-8(14)15-18)9(17)2-4-10(11,12)13/h18H,2-7H2,1H3,(H2,14,15)
InChIKeyVOLYISIJXACGBA-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.94
Rot. Bonds8

About N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide

N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide (PubChem CID 77099579) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
PubChem CID77099579
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
SMILESCOCCN(CCC(N)=NO)C(=O)CCC(F)(F)F
InChIInChI=1S/C10H18F3N3O3/c1-19-7-6-16(5-3-8(14)15-18)9(17)2-4-10(11,12)13/h18H,2-7H2,1H3,(H2,14,15)
InChIKeyVOLYISIJXACGBA-UHFFFAOYSA-N
XLogP0.94
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
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-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide (CID 77099579) is N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide is COCCN(CCC(N)=NO)C(=O)CCC(F)(F)F.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide?
The InChIKey is VOLYISIJXACGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3/c1-19-7-6-16(5-3-8(14)15-18)9(17)2-4-10(11,12)13/h18H,2-7H2,1H3,(H2,14,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide?
N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide has a molecular weight of 285.27 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 77099579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).