4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide

C25H29N3O3 — CID 112832993

About 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide

4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide (PubChem CID 112832993) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide.

Molecular Properties

• Compound Name: 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
• PubChem CID: 112832993
• Molecular Formula: C25H29N3O3
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.22
• IUPAC Name: 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide
• SMILES: CCOc1ccccc1OCCCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1
• InChI: InChI=1S/C25H29N3O3/c1-2-30-22-9-3-4-10-23(22)31-17-7-11-24(29)27-20-14-12-19(13-15-20)25-26-18-21-8-5-6-16-28(21)25/h3-4,9-10,12-15,18H,2,5-8,11,16-17H2,1H3,(H,27,29)
• InChIKey: FBQZOZXYLBLXIF-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide?

The IUPAC name of 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide (CID 112832993) is 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide.

What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide?

The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide is CCOc1ccccc1OCCCC(=O)Nc1ccc(-c2ncc3n2CCCC3)cc1.

What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide?

The InChIKey is FBQZOZXYLBLXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-2-30-22-9-3-4-10-23(22)31-17-7-11-24(29)27-20-14-12-19(13-15-20)25-26-18-21-8-5-6-16-28(21)25/h3-4,9-10,12-15,18H,2,5-8,11,16-17H2,1H3,(H,27,29).

What are the key properties of 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide?

4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide has a molecular weight of 419.53 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-ethoxyphenoxy)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]butanamide is sourced from PubChem (CID 112832993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).