2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide

C14H20ClNO2 — CID 2078

IUPAC2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
SMILESCCc1cccc(CC)c1N(COC)C(=O)CCl
InChIInChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChIKeyXCSGPAVHZFQHGE-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.99
Rot. Bonds6

About 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide

2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide (PubChem CID 2078) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
PubChem CID2078
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
SMILESCCc1cccc(CC)c1N(COC)C(=O)CCl
InChIInChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
InChIKeyXCSGPAVHZFQHGE-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide (CID 2078) is 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide is CCc1cccc(CC)c1N(COC)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide?
The InChIKey is XCSGPAVHZFQHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide?
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide has a molecular weight of 269.77 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide is sourced from PubChem (CID 2078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).