3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C8H14F3N3O3 — CID 107482231

IUPAC3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H14F3N3O3/c1-5(6(12)13-17)7(16)14(2-3-15)4-8(9,10)11/h5,15,17H,2-4H2,1H3,(H2,12,13)
InChIKeyPLNSHEIIVNIZJQ-UHFFFAOYSA-N
MW257.21 g/mol
LogP-0.25
Rot. Bonds5

About 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107482231) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107482231
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC Name3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C(=O)N(CCO)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H14F3N3O3/c1-5(6(12)13-17)7(16)14(2-3-15)4-8(9,10)11/h5,15,17H,2-4H2,1H3,(H2,12,13)
InChIKeyPLNSHEIIVNIZJQ-UHFFFAOYSA-N
XLogP-0.25
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
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 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 107482231) is 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(C(=O)N(CCO)CC(F)(F)F)C(N)=NO.
What is the InChIKey of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is PLNSHEIIVNIZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c1-5(6(12)13-17)7(16)14(2-3-15)4-8(9,10)11/h5,15,17H,2-4H2,1H3,(H2,12,13).
What are the key properties of 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 257.21 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxyethyl)-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107482231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).