(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide

C11H13N3O3 — CID 135666294

IUPAC(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide
SMILESCC(=N\O)/C(=N\O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C11H13N3O3/c1-8(12-16)10(13-17)11(15)14(2)9-6-4-3-5-7-9/h3-7,16-17H,1-2H3/b12-8+,13-10+
InChIKeyCWBJGAHMHDUAJY-SDCOAONHSA-N
MW235.24 g/mol
LogP1.33
Rot. Bonds3

About (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide

(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide (PubChem CID 135666294) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide
PubChem CID135666294
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide
SMILESCC(=N\O)/C(=N\O)C(=O)N(C)c1ccccc1
InChIInChI=1S/C11H13N3O3/c1-8(12-16)10(13-17)11(15)14(2)9-6-4-3-5-7-9/h3-7,16-17H,1-2H3/b12-8+,13-10+
InChIKeyCWBJGAHMHDUAJY-SDCOAONHSA-N
XLogP1.33
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125
N,3-dimethyl-2-methylidene-N-phenylbut-3-enamide
CID 89087492
N-methyl-N',N'-bis(2-methylpropyl)-N-phenyloxamide
CID 108520978
N-methyl-N-[methyl(phenyl)carbamoyl]acetamide
CID 59917803
N-(2-acetamidoethyl)-N'-methyl-N'-phenyloxamide
CID 47333935
N,2-dimethyl-N-phenylprop-2-enamide;tridecane
CID 91328548
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
acetamido N-methyl-N-phenylcarbamate
CID 155295151
methyl N-[methyl(phenyl)carbamoyl]oxyethanimidothioate
CID 173368997
N'-acetyl-N'-(3-aminophenyl)-N-methyl-N-phenyloxamide
CID 108520930
2-diazo-N-methyl-N,2-diphenylacetamide
CID 57364283
N-methyl-3-methylsulfinyl-2-oxo-N-phenylpropanamide
CID 67934288

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide?
The IUPAC name of (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide (CID 135666294) is (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide.
What is the SMILES notation for (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide?
The canonical SMILES for (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide is CC(=N\O)/C(=N\O)C(=O)N(C)c1ccccc1.
What is the InChIKey of (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide?
The InChIKey is CWBJGAHMHDUAJY-SDCOAONHSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-8(12-16)10(13-17)11(15)14(2)9-6-4-3-5-7-9/h3-7,16-17H,1-2H3/b12-8+,13-10+.
What are the key properties of (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide?
(2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide has a molecular weight of 235.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2,3-bis(hydroxyimino)-N-methyl-N-phenylbutanamide is sourced from PubChem (CID 135666294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).