4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

C35H32N2O3 — CID 3636228

About 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide

4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 3636228) has the molecular formula C35H32N2O3 and a molecular weight of 528.65 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 3636228
• Molecular Formula: C35H32N2O3
• Molecular Weight: 528.65 g/mol
• Exact Mass: 528.24
• IUPAC Name: 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)c3cccc5ccccc35)C4)c2)cc1
• InChI: InChI=1S/C35H32N2O3/c1-35(2,3)27-16-14-24(15-17-27)33(38)36-28-11-6-10-25(20-28)32-21-26-22-37(19-18-31(26)40-32)34(39)30-13-7-9-23-8-4-5-12-29(23)30/h4-17,20-21H,18-19,22H2,1-3H3,(H,36,38)
• InChIKey: ZKHGCWAJYAVYFV-UHFFFAOYSA-N
• XLogP: 7.85
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.65
LogP ≤ 5	7.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 3636228) is 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)c3cccc5ccccc35)C4)c2)cc1.

What is the InChIKey of 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

The InChIKey is ZKHGCWAJYAVYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O3/c1-35(2,3)27-16-14-24(15-17-27)33(38)36-28-11-6-10-25(20-28)32-21-26-22-37(19-18-31(26)40-32)34(39)30-13-7-9-23-8-4-5-12-29(23)30/h4-17,20-21H,18-19,22H2,1-3H3,(H,36,38).

What are the key properties of 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide?

4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 528.65 g/mol, XLogP of 7.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 3636228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).