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

C16H23ClN2O3 — CID 753655

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Cl
InChIInChI=1S/C16H23ClN2O3/c1-12-9-14(10-13(2)16(12)17)22-11-15(20)18-3-4-19-5-7-21-8-6-19/h9-10H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyVDWRTENYQPEKSX-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.78
Rot. Bonds6

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

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 753655) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID753655
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Cl
InChIInChI=1S/C16H23ClN2O3/c1-12-9-14(10-13(2)16(12)17)22-11-15(20)18-3-4-19-5-7-21-8-6-19/h9-10H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyVDWRTENYQPEKSX-UHFFFAOYSA-N
XLogP1.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
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-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(3-methylphenoxy)acetamide
CID 4792390
1-[(4-Chloro-2-methylphenoxy)acetyl]-4-methylpiperazine
CID 774163
2-(4-chloro-3,5-dimethylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692214
2-(3,5-dimethylphenoxy)-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 650107
2-(4-Chloro-3,5-dimethyl-phenoxy)-N-(3-morpholin-4-yl-propyl)-acetamide
CID 654862
Ethyl 4-[2-(4-chloro-3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 703748
1-[(4-Chloro-3,5-dimethylphenoxy)acetyl]pyrrolidine
CID 808142

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 753655) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is VDWRTENYQPEKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-12-9-14(10-13(2)16(12)17)22-11-15(20)18-3-4-19-5-7-21-8-6-19/h9-10H,3-8,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 326.82 g/mol, XLogP of 1.78, 6 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-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 753655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).