N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide

C10H18F3N3O2 — CID 76917326

IUPACN-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-7(2)6-16(4-3-8(14)15-18)9(17)5-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15)
InChIKeyCXLPEYWDUCWRTB-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.56
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide

N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide (PubChem CID 76917326) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
PubChem CID76917326
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(CCC(N)=NO)C(=O)CC(F)(F)F
InChIInChI=1S/C10H18F3N3O2/c1-7(2)6-16(4-3-8(14)15-18)9(17)5-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15)
InChIKeyCXLPEYWDUCWRTB-UHFFFAOYSA-N
XLogP1.56
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.56
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

N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)-2-methylsulfonylacetamide
CID 77015110
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methylpropyl)nonanamide
CID 77069051
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
1-(3-amino-3-hydroxyiminopropyl)-3-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 79163221
N-(3-amino-3-hydroxyiminopropyl)-4-fluoro-N-(2-methylpropyl)benzamide
CID 76917276
(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide
CID 55009764
N-(3-amino-3-hydroxyiminopropyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-(2-methylpropyl)acetamide
CID 76917233
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310813
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-fluoro-2-hydroxy-N-(2-methylpropyl)benzamide
CID 115299504
N-(3-amino-3-hydroxyiminopropyl)-2-methyl-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107182758

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide (CID 76917326) is N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide is CC(C)CN(CCC(N)=NO)C(=O)CC(F)(F)F.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide?
The InChIKey is CXLPEYWDUCWRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-7(2)6-16(4-3-8(14)15-18)9(17)5-10(11,12)13/h7,18H,3-6H2,1-2H3,(H2,14,15).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide?
N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide has a molecular weight of 269.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 76917326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).