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

C32H32N2O3 — CID 3373752

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

4-tert-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 3373752) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 3373752
• Molecular Formula: C32H32N2O3
• Molecular Weight: 492.62 g/mol
• Exact Mass: 492.24
• IUPAC Name: 4-tert-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: Cc1cccc(C(=O)N2CCc3oc(-c4ccc(NC(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3C2)c1
• InChI: InChI=1S/C32H32N2O3/c1-21-6-5-7-24(18-21)31(36)34-17-16-28-25(20-34)19-29(37-28)22-10-14-27(15-11-22)33-30(35)23-8-12-26(13-9-23)32(2,3)4/h5-15,18-19H,16-17,20H2,1-4H3,(H,33,35)
• InChIKey: RAPDBFCCEZDTAC-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.62
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 3373752) is 4-tert-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 4-tert-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is Cc1cccc(C(=O)N2CCc3oc(-c4ccc(NC(=O)c5ccc(C(C)(C)C)cc5)cc4)cc3C2)c1.

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

The InChIKey is RAPDBFCCEZDTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-21-6-5-7-24(18-21)31(36)34-17-16-28-25(20-34)19-29(37-28)22-10-14-27(15-11-22)33-30(35)23-8-12-26(13-9-23)32(2,3)4/h5-15,18-19H,16-17,20H2,1-4H3,(H,33,35).

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

4-tert-butyl-N-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 492.62 g/mol, XLogP of 7.00, 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-[4-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 3373752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).