2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide

C20H25N3O4 — CID 122277222

About 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide

2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide (PubChem CID 122277222) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
• PubChem CID: 122277222
• Molecular Formula: C20H25N3O4
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.18
• IUPAC Name: 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
• SMILES: COc1cc(C)ccc1OCC(=O)NCCn1nc2c(cc1=O)CCCC2
• InChI: InChI=1S/C20H25N3O4/c1-14-7-8-17(18(11-14)26-2)27-13-19(24)21-9-10-23-20(25)12-15-5-3-4-6-16(15)22-23/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,21,24)
• InChIKey: JROPGLKNWACMCW-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide?

The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide (CID 122277222) is 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide?

The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide is COc1cc(C)ccc1OCC(=O)NCCn1nc2c(cc1=O)CCCC2.

What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide?

The InChIKey is JROPGLKNWACMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-7-8-17(18(11-14)26-2)27-13-19(24)21-9-10-23-20(25)12-15-5-3-4-6-16(15)22-23/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,21,24).

What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide?

2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide is sourced from PubChem (CID 122277222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).