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

C20H24ClNO2 — CID 12769785

IUPAC2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
SMILESCCc1cccc(CC)c1N(CCOc1ccccc1)C(=O)CCl
InChIInChI=1S/C20H24ClNO2/c1-3-16-9-8-10-17(4-2)20(16)22(19(23)15-21)13-14-24-18-11-6-5-7-12-18/h5-12H,3-4,13-15H2,1-2H3
InChIKeyYVBMJWPAIQMENV-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.46
Rot. Bonds8

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

2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide (PubChem CID 12769785) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
PubChem CID12769785
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide
SMILESCCc1cccc(CC)c1N(CCOc1ccccc1)C(=O)CCl
InChIInChI=1S/C20H24ClNO2/c1-3-16-9-8-10-17(4-2)20(16)22(19(23)15-21)13-14-24-18-11-6-5-7-12-18/h5-12H,3-4,13-15H2,1-2H3
InChIKeyYVBMJWPAIQMENV-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylphenoxy)-N,N-diethylethanamine;2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide;hydrochloride
CID 131720780
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
2-chloroacetic acid;ethoxybenzene
CID 174963019
2-methyl-N-(2-phenoxyethyl)-N-phenylpropanamide
CID 141139388
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
CID 6448437
2-chloro-N-(2,6-diethylphenyl)-N-[(4,5-dimethyl-1,3-dioxolan-2-yl)methyl]acetamide
CID 21403992
3-(N-(2-chloroacetyl)-2-ethyl-6-methylanilino)propane-1-sulfonic acid
CID 57055307
N-(2-tert-butyl-6-ethylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 19873472
2-chloro-N-[3-(3-ethylphenoxy)propyl]-N-methylacetamide
CID 82109404
2-chloro-N-(2,6-diethylphenyl)-N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]acetamide
CID 21403924
ethyl N-(2-phenoxyethyl)-N-propanethioylcarbamate
CID 54471774

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide (CID 12769785) is 2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide is CCc1cccc(CC)c1N(CCOc1ccccc1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is YVBMJWPAIQMENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-3-16-9-8-10-17(4-2)20(16)22(19(23)15-21)13-14-24-18-11-6-5-7-12-18/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of 2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide?
2-chloro-N-(2,6-diethylphenyl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 345.87 g/mol, XLogP of 4.46, 8 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-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 12769785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).