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

C9H16F3N3O2 — CID 76923870

IUPAC3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)C(N)=NO
InChIInChI=1S/C9H16F3N3O2/c1-3-4-15(5-9(10,11)12)8(16)6(2)7(13)14-17/h6,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeyISHFLOWUSJAEFQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.17
Rot. Bonds5

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

3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 76923870) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID76923870
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCCN(CC(F)(F)F)C(=O)C(C)C(N)=NO
InChIInChI=1S/C9H16F3N3O2/c1-3-4-15(5-9(10,11)12)8(16)6(2)7(13)14-17/h6,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeyISHFLOWUSJAEFQ-UHFFFAOYSA-N
XLogP1.17
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

(3Z)-3-amino-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
CID 43156161
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,3,3-trifluoropropanamide
CID 54987980
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3,3,3-trifluoro-N-propan-2-ylpropanamide
CID 54996282
(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55207095
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890842
(3Z)-3-amino-N-cyclopropyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61852349
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 63227868
2-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 65530835
(3Z)-3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(3,3,3-trifluoropropyl)propanamide
CID 65531225
N'-hydroxy-2-methyl-3-oxo-3-[3-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65531807
N'-hydroxy-2-methyl-3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65532774
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4,4,4-trifluoro-N-methylbutanamide
CID 65713008

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide (CID 76923870) is 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is CCCN(CC(F)(F)F)C(=O)C(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ISHFLOWUSJAEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-3-4-15(5-9(10,11)12)8(16)6(2)7(13)14-17/h6,17H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 255.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 76923870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).