2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide

C17H25ClN2O3 — CID 654862

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCCCN2CCOCC2)cc(C)c1Cl
InChIInChI=1S/C17H25ClN2O3/c1-13-10-15(11-14(2)17(13)18)23-12-16(21)19-4-3-5-20-6-8-22-9-7-20/h10-11H,3-9,12H2,1-2H3,(H,19,21)
InChIKeyHOOIVWBGWRECEL-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.17
Rot. Bonds7

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 654862) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID654862
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCCCN2CCOCC2)cc(C)c1Cl
InChIInChI=1S/C17H25ClN2O3/c1-13-10-15(11-14(2)17(13)18)23-12-16(21)19-4-3-5-20-6-8-22-9-7-20/h10-11H,3-9,12H2,1-2H3,(H,19,21)
InChIKeyHOOIVWBGWRECEL-UHFFFAOYSA-N
XLogP2.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-isopropylacetamide
CID 883710
2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-isopropyl-acetamide
CID 808118
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 753655
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(3-methylphenoxy)acetamide
CID 4792390
2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692214
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
2-(3,5-dimethylphenoxy)-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 650107
Ethyl 4-[2-(4-chloro-3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 703748
1-[(4-Chloro-3,5-dimethylphenoxy)acetyl]pyrrolidine
CID 808142
1-[(4-Chloro-3-methylphenoxy)acetyl]pyrrolidine
CID 883692

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide (CID 654862) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cc(OCC(=O)NCCCN2CCOCC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is HOOIVWBGWRECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-13-10-15(11-14(2)17(13)18)23-12-16(21)19-4-3-5-20-6-8-22-9-7-20/h10-11H,3-9,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 340.85 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 654862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).