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

C12H21F2N3O3 — CID 103211635

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
SMILESNC(CN(C(=O)CCOCC(F)F)C1CCCC1)=NO
InChIInChI=1S/C12H21F2N3O3/c13-10(14)8-20-6-5-12(18)17(7-11(15)16-19)9-3-1-2-4-9/h9-10,19H,1-8H2,(H2,15,16)
InChIKeyZNKXJIMBXODDFS-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.18
Rot. Bonds8

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

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103211635) has the molecular formula C12H21F2N3O3 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
PubChem CID103211635
Molecular FormulaC12H21F2N3O3
Molecular Weight293.31 g/mol
Exact Mass293.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide
SMILESNC(CN(C(=O)CCOCC(F)F)C1CCCC1)=NO
InChIInChI=1S/C12H21F2N3O3/c13-10(14)8-20-6-5-12(18)17(7-11(15)16-19)9-3-1-2-4-9/h9-10,19H,1-8H2,(H2,15,16)
InChIKeyZNKXJIMBXODDFS-UHFFFAOYSA-N
XLogP1.18
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.18
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-difluoroethoxy)propanamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide (CID 103211635) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide is NC(CN(C(=O)CCOCC(F)F)C1CCCC1)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is ZNKXJIMBXODDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O3/c13-10(14)8-20-6-5-12(18)17(7-11(15)16-19)9-3-1-2-4-9/h9-10,19H,1-8H2,(H2,15,16).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 293.31 g/mol, XLogP of 1.18, 8 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-difluoroethoxy)propanamide is sourced from PubChem (CID 103211635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).