2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide

C14H18ClN3O4 — CID 3054152

IUPAC2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC(=O)NCN1CCOCC1
InChIInChI=1S/C14H18ClN3O4/c15-11-1-3-12(4-2-11)22-9-13(19)17-14(20)16-10-18-5-7-21-8-6-18/h1-4H,5-10H2,(H2,16,17,19,20)
InChIKeyNNXDKWUYRKHIOD-UHFFFAOYSA-N
MW327.77 g/mol
LogP0.83
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide

2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide (PubChem CID 3054152) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
PubChem CID3054152
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC Name2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC(=O)NCN1CCOCC1
InChIInChI=1S/C14H18ClN3O4/c15-11-1-3-12(4-2-11)22-9-13(19)17-14(20)16-10-18-5-7-21-8-6-18/h1-4H,5-10H2,(H2,16,17,19,20)
InChIKeyNNXDKWUYRKHIOD-UHFFFAOYSA-N
XLogP0.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide (CID 3054152) is 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide is O=C(COc1ccc(Cl)cc1)NC(=O)NCN1CCOCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide?
The InChIKey is NNXDKWUYRKHIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c15-11-1-3-12(4-2-11)22-9-13(19)17-14(20)16-10-18-5-7-21-8-6-18/h1-4H,5-10H2,(H2,16,17,19,20).
What are the key properties of 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide?
2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide has a molecular weight of 327.77 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(morpholin-4-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 3054152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).