2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide

C14H19ClN2O3 — CID 12810715

IUPAC2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CN(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C14H19ClN2O3/c1-10-6-5-7-11(2)14(10)17(12(18)8-15)9-13(19)16(3)20-4/h5-7H,8-9H2,1-4H3
InChIKeyJDXGITVUNYLLRZ-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.90
Rot. Bonds5

About 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide

2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide (PubChem CID 12810715) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
PubChem CID12810715
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)CN(C(=O)CCl)c1c(C)cccc1C
InChIInChI=1S/C14H19ClN2O3/c1-10-6-5-7-11(2)14(10)17(12(18)8-15)9-13(19)16(3)20-4/h5-7H,8-9H2,1-4H3
InChIKeyJDXGITVUNYLLRZ-UHFFFAOYSA-N
XLogP1.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-hydroxy-N-methylacetamide
CID 12810720
2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 70581631
N-(butoxymethyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide
CID 11312129
2-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)-N-ethylacetamide
CID 154104180
2-chloro-N-(2-methoxy-6-methylphenyl)-N-(propoxymethyl)acetamide
CID 19020256
methyl (2R)-2-(N-(2-chloroacetyl)-2,6-dimethylanilino)propanoate
CID 169090005
2-chloro-N-(1,3-dithiolan-2-ylmethyl)-N-(2-methoxy-6-methylphenyl)acetamide
CID 21403983
2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide
CID 13324365
N-methoxy-2-(N-(2-methoxyacetyl)anilino)-N-methylacetamide
CID 102198875
2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-nitrophenyl)acetamide
CID 13022595
2-chloro-N-(2,6-dimethylphenyl)-N-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 13103108
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide (CID 12810715) is 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide is CON(C)C(=O)CN(C(=O)CCl)c1c(C)cccc1C.
What is the InChIKey of 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide?
The InChIKey is JDXGITVUNYLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-10-6-5-7-11(2)14(10)17(12(18)8-15)9-13(19)16(3)20-4/h5-7H,8-9H2,1-4H3.
What are the key properties of 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide?
2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide has a molecular weight of 298.77 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chloroacetyl)-2,6-dimethylanilino)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 12810715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).