N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide

C11H18F3N3O3 — CID 103211636

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(CN(C(=O)COCC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)7-20-6-10(18)17(5-9(15)16-19)8-3-1-2-4-8/h8,19H,1-7H2,(H2,15,16)
InChIKeyVNPVDWLYOWNUDG-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.08
Rot. Bonds6

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211636) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211636
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC(CN(C(=O)COCC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C11H18F3N3O3/c12-11(13,14)7-20-6-10(18)17(5-9(15)16-19)8-3-1-2-4-8/h8,19H,1-7H2,(H2,15,16)
InChIKeyVNPVDWLYOWNUDG-UHFFFAOYSA-N
XLogP1.08
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.08
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'}

Analyze N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide 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

2-[cyclopentyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxyethanimidamide
CID 77038146
N-(2-aminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205487
N-(1-amino-1-hydroxyiminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211495
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211498
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211541
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211558
N-(1-amino-1-hydroxyiminopentan-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211584
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211595
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211609
N'-hydroxy-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-2-carboximidamide
CID 103211614
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
CID 103211635
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103211637

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211636) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide is NC(CN(C(=O)COCC(F)(F)F)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VNPVDWLYOWNUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c12-11(13,14)7-20-6-10(18)17(5-9(15)16-19)8-3-1-2-4-8/h8,19H,1-7H2,(H2,15,16).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 297.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).