N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

C9H16F3N3O3 — CID 103211537

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CN(C)C(=O)COCC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H16F3N3O3/c1-6(8(13)14-17)3-15(2)7(16)4-18-5-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeySNFBVDOBTPICQA-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.41
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103211537) has the molecular formula C9H16F3N3O3 and a molecular weight of 271.24 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103211537
Molecular FormulaC9H16F3N3O3
Molecular Weight271.24 g/mol
Exact Mass271.11
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(CN(C)C(=O)COCC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H16F3N3O3/c1-6(8(13)14-17)3-15(2)7(16)4-18-5-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeySNFBVDOBTPICQA-UHFFFAOYSA-N
XLogP0.41
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
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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Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 114032010
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211595
N-(3-amino-4-methylpentyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807711
tert-butyl N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methylcarbamate
CID 75834024
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-ethyl-N-methylbutanamide
CID 76910816
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 104928884
N'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
2-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 76926837
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 55261278
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 76910826
N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103211661

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103211537) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is CC(CN(C)C(=O)COCC(F)(F)F)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SNFBVDOBTPICQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3/c1-6(8(13)14-17)3-15(2)7(16)4-18-5-9(10,11)12/h6,17H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 271.24 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103211537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).