N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide

C8H14F3N3O2 — CID 76910840

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCC(CN(C)C(=O)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H14F3N3O2/c1-5(7(12)13-16)4-14(2)6(15)3-8(9,10)11/h5,16H,3-4H2,1-2H3,(H2,12,13)
InChIKeyAAJSWWYIPLITGY-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.78
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 76910840) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide
PubChem CID76910840
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide
SMILESCC(CN(C)C(=O)CC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H14F3N3O2/c1-5(7(12)13-16)4-14(2)6(15)3-8(9,10)11/h5,16H,3-4H2,1-2H3,(H2,12,13)
InChIKeyAAJSWWYIPLITGY-UHFFFAOYSA-N
XLogP0.78
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.78
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
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropyl-3,3,3-trifluoropropanamide
CID 54997498
(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-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4,4,4-trifluoro-N-methylbutanamide
CID 65713008
3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 76175085

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide (CID 76910840) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide is CC(CN(C)C(=O)CC(F)(F)F)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide?
The InChIKey is AAJSWWYIPLITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-5(7(12)13-16)4-14(2)6(15)3-8(9,10)11/h5,16H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 241.21 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 76910840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).