(2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide

C16H24N2O2 — CID 18710547

IUPAC(2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide
SMILESCCCNC(=O)/C(=N/OC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-6-10-17-15(19)14(18-20-16(3,4)5)13-9-7-8-12(2)11-13/h7-9,11H,6,10H2,1-5H3,(H,17,19)/b18-14+
InChIKeyZGJCYVMIYFNNHE-NBVRZTHBSA-N
MW276.38 g/mol
LogP3.04
Rot. Bonds5

About (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide

(2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide (PubChem CID 18710547) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide.

Molecular Properties

Compound Name(2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide
PubChem CID18710547
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide
SMILESCCCNC(=O)/C(=N/OC(C)(C)C)c1cccc(C)c1
InChIInChI=1S/C16H24N2O2/c1-6-10-17-15(19)14(18-20-16(3,4)5)13-9-7-8-12(2)11-13/h7-9,11H,6,10H2,1-5H3,(H,17,19)/b18-14+
InChIKeyZGJCYVMIYFNNHE-NBVRZTHBSA-N
XLogP3.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.04
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-[(2-methylpropan-2-yl)oxyimino]-2-phenyl-N-propylacetamide
CID 15906772
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
tert-butyl N-[2-[3-[(3-methylbenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918762
3-methyl-N-[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]benzamide
CID 8733376
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methylbenzamide
CID 107868007
N-butyl-N'-[(3-methylphenyl)methyl]oxamide
CID 108983947
3-methylbenzoic acid
CID 7418
1-(3-methylphenyl)butan-1-one
CID 4304992
N-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethyl]-3-methylbenzamide
CID 110967266
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
N-(ethylcarbamothioyl)-3-methylbenzamide
CID 4947765

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide?
The IUPAC name of (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide (CID 18710547) is (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide.
What is the SMILES notation for (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide?
The canonical SMILES for (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide is CCCNC(=O)/C(=N/OC(C)(C)C)c1cccc(C)c1.
What is the InChIKey of (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide?
The InChIKey is ZGJCYVMIYFNNHE-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-10-17-15(19)14(18-20-16(3,4)5)13-9-7-8-12(2)11-13/h7-9,11H,6,10H2,1-5H3,(H,17,19)/b18-14+.
What are the key properties of (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide?
(2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide has a molecular weight of 276.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxyimino]-N-propylacetamide is sourced from PubChem (CID 18710547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).