(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide

C15H22N2O2 — CID 15906772

IUPAC(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide
SMILESCCCNC(=O)/C(=N/OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-5-11-16-14(18)13(17-19-15(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,16,18)/b17-13+
InChIKeyIDEVCSJEHDDDNI-GHRIWEEISA-N
MW262.35 g/mol
LogP2.73
Rot. Bonds5

About (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide

(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide (PubChem CID 15906772) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide.

Molecular Properties

Compound Name(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide
PubChem CID15906772
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide
SMILESCCCNC(=O)/C(=N/OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-5-11-16-14(18)13(17-19-15(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,16,18)/b17-13+
InChIKeyIDEVCSJEHDDDNI-GHRIWEEISA-N
XLogP2.73
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide
CID 18710547
methyl (2E)-2-(3-methylpentan-3-yloxyimino)-2-phenylacetate;methyl (2Z)-2-(3-methylpentan-3-yloxyimino)-2-phenylacetate
CID 159710722
2-imino-2-phenyl-N-propylacetamide
CID 59888029
N-[2-(diethylamino)ethyl]-2-hydroxyimino-2-phenylacetamide
CID 6803126
N'-phenyl-N-propyloxamide
CID 2291438
2-oxo-3-phenyl-N-propylpropanamide
CID 68696691
3-(methylamino)-2-oxo-4-phenyl-N-propylbutanamide
CID 23598872
(2Z)-2-ethoxyimino-N-[[(E)-N-ethoxy-C-phenylcarbonimidoyl]carbamoyl]-2-phenylacetamide
CID 135713827
N-[3-(dimethylamino)propyl]-2-hydroxyimino-2-phenylacetamide
CID 6808043
(E)-but-2-enedioic acid;N-propylbenzamide
CID 69498373
[4-(propylamino)phenyl] benzoate
CID 82532431
benzoic acid;2-methyl-2-(propylamino)propan-1-ol
CID 23615826

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide?
The IUPAC name of (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide (CID 15906772) is (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide.
What is the SMILES notation for (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide?
The canonical SMILES for (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide is CCCNC(=O)/C(=N/OC(C)(C)C)c1ccccc1.
What is the InChIKey of (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide?
The InChIKey is IDEVCSJEHDDDNI-GHRIWEEISA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-11-16-14(18)13(17-19-15(2,3)4)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3,(H,16,18)/b17-13+.
What are the key properties of (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide?
(2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide has a molecular weight of 262.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 15906772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).