2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide

C12H17ClN2O2 — CID 119499872

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C12H17ClN2O2/c1-9-7-10(13)3-4-11(9)17-8-12(16)15-6-5-14-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyHCWOTFWNJYLZMB-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.36
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide (PubChem CID 119499872) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
PubChem CID119499872
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C12H17ClN2O2/c1-9-7-10(13)3-4-11(9)17-8-12(16)15-6-5-14-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyHCWOTFWNJYLZMB-UHFFFAOYSA-N
XLogP1.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
2-(4-chloro-2-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 113236436
2-(4-chloro-2-methylphenoxy)-N-(2-phenoxyethyl)acetamide
CID 26903383
2-(4-chloro-2-methylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174022
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113102607
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
2-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 7936907

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide (CID 119499872) is 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide is CNCCNC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is HCWOTFWNJYLZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9-7-10(13)3-4-11(9)17-8-12(16)15-6-5-14-2/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 119499872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).