2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide

C16H24ClNO2 — CID 154731365

IUPAC2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide
SMILESCCOCN(C(=O)CCl)c1c(C)cc(CC)cc1CC
InChIInChI=1S/C16H24ClNO2/c1-5-13-8-12(4)16(14(6-2)9-13)18(11-20-7-3)15(19)10-17/h8-9H,5-7,10-11H2,1-4H3
InChIKeyQODNLCLWNUAAJX-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.69
Rot. Bonds7

About 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide

2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide (PubChem CID 154731365) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide
PubChem CID154731365
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide
SMILESCCOCN(C(=O)CCl)c1c(C)cc(CC)cc1CC
InChIInChI=1S/C16H24ClNO2/c1-5-13-8-12(4)16(14(6-2)9-13)18(11-20-7-3)15(19)10-17/h8-9H,5-7,10-11H2,1-4H3
InChIKeyQODNLCLWNUAAJX-UHFFFAOYSA-N
XLogP3.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.69
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-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide (CID 154731365) is 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide is CCOCN(C(=O)CCl)c1c(C)cc(CC)cc1CC.
What is the InChIKey of 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide?
The InChIKey is QODNLCLWNUAAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-5-13-8-12(4)16(14(6-2)9-13)18(11-20-7-3)15(19)10-17/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide?
2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide has a molecular weight of 297.83 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-diethyl-6-methylphenyl)-N-(ethoxymethyl)acetamide is sourced from PubChem (CID 154731365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).