N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide

C12H20F3N3O3 — CID 103211637

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNC(CN(C(=O)CCOCC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C12H20F3N3O3/c13-12(14,15)8-21-6-5-11(19)18(7-10(16)17-20)9-3-1-2-4-9/h9,20H,1-8H2,(H2,16,17)
InChIKeyDJOKRPAPUAWOCF-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.47
Rot. Bonds7

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103211637) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103211637
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNC(CN(C(=O)CCOCC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C12H20F3N3O3/c13-12(14,15)8-21-6-5-11(19)18(7-10(16)17-20)9-3-1-2-4-9/h9,20H,1-8H2,(H2,16,17)
InChIKeyDJOKRPAPUAWOCF-UHFFFAOYSA-N
XLogP1.47
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103211637) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide is NC(CN(C(=O)CCOCC(F)(F)F)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is DJOKRPAPUAWOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c13-12(14,15)8-21-6-5-11(19)18(7-10(16)17-20)9-3-1-2-4-9/h9,20H,1-8H2,(H2,16,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 311.30 g/mol, XLogP of 1.47, 7 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-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103211637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).