2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide

C16H22N2O2 — CID 86689365

IUPAC2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide
SMILESCC=NN(C)C(=O)C(=O)c1c(CC)cc(C)cc1CC
InChIInChI=1S/C16H22N2O2/c1-6-12-9-11(4)10-13(7-2)14(12)15(19)16(20)18(5)17-8-3/h8-10H,6-7H2,1-5H3
InChIKeyGJOHWLWKWYKDIM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.77
Rot. Bonds5

About 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide

2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide (PubChem CID 86689365) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide
PubChem CID86689365
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide
SMILESCC=NN(C)C(=O)C(=O)c1c(CC)cc(C)cc1CC
InChIInChI=1S/C16H22N2O2/c1-6-12-9-11(4)10-13(7-2)14(12)15(19)16(20)18(5)17-8-3/h8-10H,6-7H2,1-5H3
InChIKeyGJOHWLWKWYKDIM-UHFFFAOYSA-N
XLogP2.77
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide (CID 86689365) is 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide is CC=NN(C)C(=O)C(=O)c1c(CC)cc(C)cc1CC.
What is the InChIKey of 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide?
The InChIKey is GJOHWLWKWYKDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-6-12-9-11(4)10-13(7-2)14(12)15(19)16(20)18(5)17-8-3/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide?
2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-4-methylphenyl)-N-(ethylideneamino)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 86689365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).