N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide

C10H19F2N3O3 — CID 103211497

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCCCC(NC(=O)CCOCC(F)F)C(N)=NO
InChIInChI=1S/C10H19F2N3O3/c1-2-3-7(10(13)15-17)14-9(16)4-5-18-6-8(11)12/h7-8,17H,2-6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyKGTFDVJKYFMAID-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.69
Rot. Bonds9

About N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide

N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide (PubChem CID 103211497) has the molecular formula C10H19F2N3O3 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide
PubChem CID103211497
Molecular FormulaC10H19F2N3O3
Molecular Weight267.28 g/mol
Exact Mass267.14
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide
SMILESCCCC(NC(=O)CCOCC(F)F)C(N)=NO
InChIInChI=1S/C10H19F2N3O3/c1-2-3-7(10(13)15-17)14-9(16)4-5-18-6-8(11)12/h7-8,17H,2-6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyKGTFDVJKYFMAID-UHFFFAOYSA-N
XLogP0.69
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.69
H-Bond Donors ≤ 53
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-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide (CID 103211497) is N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide is CCCC(NC(=O)CCOCC(F)F)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
The InChIKey is KGTFDVJKYFMAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O3/c1-2-3-7(10(13)15-17)14-9(16)4-5-18-6-8(11)12/h7-8,17H,2-6H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide has a molecular weight of 267.28 g/mol, XLogP of 0.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)-3-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 103211497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).