2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide

C17H23ClN2O2 — CID 86737669

IUPAC2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide
SMILESC=CCON=C(C)C(C)N(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C17H23ClN2O2/c1-6-10-22-19-14(4)15(5)20(16(21)11-18)17-12(2)8-7-9-13(17)3/h6-9,15H,1,10-11H2,2-5H3
InChIKeyIODZMGPFYIZORX-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.84
Rot. Bonds7

About 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide

2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide (PubChem CID 86737669) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide
PubChem CID86737669
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide
SMILESC=CCON=C(C)C(C)N(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C17H23ClN2O2/c1-6-10-22-19-14(4)15(5)20(16(21)11-18)17-12(2)8-7-9-13(17)3/h6-9,15H,1,10-11H2,2-5H3
InChIKeyIODZMGPFYIZORX-UHFFFAOYSA-N
XLogP3.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide (CID 86737669) is 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide is C=CCON=C(C)C(C)N(C(=O)CCl)c1c(C)cccc1C.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide?
The InChIKey is IODZMGPFYIZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-6-10-22-19-14(4)15(5)20(16(21)11-18)17-12(2)8-7-9-13(17)3/h6-9,15H,1,10-11H2,2-5H3.
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide?
2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide has a molecular weight of 322.84 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-N-(3-prop-2-enoxyiminobutan-2-yl)acetamide is sourced from PubChem (CID 86737669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).