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

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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).