N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide

C10H18F3N3O3 — CID 103211541

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)N(CCC(N)=NO)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3N3O3/c1-7(2)16(4-3-8(14)15-18)9(17)5-19-6-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15)
InChIKeyBEFLECRBUBLLJK-UHFFFAOYSA-N
MW285.27 g/mol
LogP0.94
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211541) has the molecular formula C10H18F3N3O3 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211541
Molecular FormulaC10H18F3N3O3
Molecular Weight285.27 g/mol
Exact Mass285.13
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)N(CCC(N)=NO)C(=O)COCC(F)(F)F
InChIInChI=1S/C10H18F3N3O3/c1-7(2)16(4-3-8(14)15-18)9(17)5-19-6-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15)
InChIKeyBEFLECRBUBLLJK-UHFFFAOYSA-N
XLogP0.94
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211541) is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)N(CCC(N)=NO)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is BEFLECRBUBLLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3/c1-7(2)16(4-3-8(14)15-18)9(17)5-19-6-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 285.27 g/mol, XLogP of 0.94, 7 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)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).