N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide

C20H20N2O3 — CID 110384394

About N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide (PubChem CID 110384394) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
• PubChem CID: 110384394
• Molecular Formula: C20H20N2O3
• Molecular Weight: 336.39 g/mol
• Exact Mass: 336.15
• IUPAC Name: N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide
• SMILES: COc1ccccc1CCNC(=O)c1cc2c3c(c1)CC(=O)N3CC2
• InChI: InChI=1S/C20H20N2O3/c1-25-17-5-3-2-4-13(17)6-8-21-20(24)16-10-14-7-9-22-18(23)12-15(11-16)19(14)22/h2-5,10-11H,6-9,12H2,1H3,(H,21,24)
• InChIKey: LBLVTPVYILJUAI-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.39
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?

The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide (CID 110384394) is N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide.

What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?

The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide is COc1ccccc1CCNC(=O)c1cc2c3c(c1)CC(=O)N3CC2.

What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?

The InChIKey is LBLVTPVYILJUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-17-5-3-2-4-13(17)6-8-21-20(24)16-10-14-7-9-22-18(23)12-15(11-16)19(14)22/h2-5,10-11H,6-9,12H2,1H3,(H,21,24).

What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide?

N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxyphenyl)ethyl]-3-oxo-4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene-9-carboxamide is sourced from PubChem (CID 110384394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).