(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

C8H14F3N3O3 — CID 55261278

IUPAC(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCC(C(=O)NCCOCC(F)(F)F)/C(N)=N/O
InChIInChI=1S/C8H14F3N3O3/c1-5(6(12)14-16)7(15)13-2-3-17-4-8(9,10)11/h5,16H,2-4H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUKLHZAVTOGKVOY-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.06
Rot. Bonds6

About (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide

(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (PubChem CID 55261278) has the molecular formula C8H14F3N3O3 and a molecular weight of 257.21 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
PubChem CID55261278
Molecular FormulaC8H14F3N3O3
Molecular Weight257.21 g/mol
Exact Mass257.10
IUPAC Name(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
SMILESCC(C(=O)NCCOCC(F)(F)F)/C(N)=N/O
InChIInChI=1S/C8H14F3N3O3/c1-5(6(12)14-16)7(15)13-2-3-17-4-8(9,10)11/h5,16H,2-4H2,1H3,(H2,12,14)(H,13,15)
InChIKeyUKLHZAVTOGKVOY-UHFFFAOYSA-N
XLogP0.06
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-hydroxy-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propanimidamide
CID 77028730
propan-2-yl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 116656095
1-(N'-hydroxycarbamimidoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
CID 77009358
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 62406047
3-amino-N-(4-amino-4-oxobutyl)-3-hydroxyimino-2-methylpropanamide
CID 76926545
1-[2-(2-methylpropoxy)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 87034535
3-amino-3-hydroxyimino-2-methyl-N-pentylpropanamide
CID 76925594
2-carbamothioyl-2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
CID 63828492
2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 63834426
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2-methylpropanamide
CID 76925491

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide (CID 55261278) is (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is CC(C(=O)NCCOCC(F)(F)F)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
The InChIKey is UKLHZAVTOGKVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O3/c1-5(6(12)14-16)7(15)13-2-3-17-4-8(9,10)11/h5,16H,2-4H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide?
(3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide has a molecular weight of 257.21 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide is sourced from PubChem (CID 55261278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).