N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide

C12H19N3O2S — CID 54987583

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)Cc1ccsc1
InChIInChI=1S/C12H19N3O2S/c1-3-15(7-9(2)12(13)14-17)11(16)6-10-4-5-18-8-10/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeyVGYHGOBUTJLJAZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.52
Rot. Bonds6

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide (PubChem CID 54987583) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide
PubChem CID54987583
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)Cc1ccsc1
InChIInChI=1S/C12H19N3O2S/c1-3-15(7-9(2)12(13)14-17)11(16)6-10-4-5-18-8-10/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,13,14)
InChIKeyVGYHGOBUTJLJAZ-UHFFFAOYSA-N
XLogP1.52
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.52
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,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-methylpentanamide
CID 54987486
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methylsulfonylacetamide
CID 77015078
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
CID 107705588
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 76982221
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54987956
3-[ethyl-(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 62822072
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 76988786

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide (CID 54987583) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide is CCN(CC(C)/C(N)=N/O)C(=O)Cc1ccsc1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide?
The InChIKey is VGYHGOBUTJLJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-15(7-9(2)12(13)14-17)11(16)6-10-4-5-18-8-10/h4-5,8-9,17H,3,6-7H2,1-2H3,(H2,13,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 54987583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).