2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide

C19H19N3O3 — CID 2650084

IUPAC2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-2-11-21-19(24)22-18(23)13-25-17-9-7-16(8-10-17)15-5-3-14(12-20)4-6-15/h3-10H,2,11,13H2,1H3,(H2,21,22,23,24)
InChIKeyPEJUFIYQSVULMQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide

2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide (PubChem CID 2650084) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide
PubChem CID2650084
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O3/c1-2-11-21-19(24)22-18(23)13-25-17-9-7-16(8-10-17)15-5-3-14(12-20)4-6-15/h3-10H,2,11,13H2,1H3,(H2,21,22,23,24)
InChIKeyPEJUFIYQSVULMQ-UHFFFAOYSA-N
XLogP2.84
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide (CID 2650084) is 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1.
What is the InChIKey of 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide?
The InChIKey is PEJUFIYQSVULMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-11-21-19(24)22-18(23)13-25-17-9-7-16(8-10-17)15-5-3-14(12-20)4-6-15/h3-10H,2,11,13H2,1H3,(H2,21,22,23,24).
What are the key properties of 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide?
2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 2650084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).