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

C30H36N2O3 — CID 3462979

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

3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide (PubChem CID 3462979) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is 3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide.

Molecular Properties

• Compound Name: 3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide
• PubChem CID: 3462979
• Molecular Formula: C30H36N2O3
• Molecular Weight: 472.63 g/mol
• Exact Mass: 472.27
• IUPAC Name: 3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide
• SMILES: Cc1ccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)CC(C)CC(C)(C)C)c4)cc3C2)cc1
• InChI: InChI=1S/C30H36N2O3/c1-20-9-11-22(12-10-20)29(34)32-14-13-26-24(19-32)17-27(35-26)23-7-6-8-25(16-23)31-28(33)15-21(2)18-30(3,4)5/h6-12,16-17,21H,13-15,18-19H2,1-5H3,(H,31,33)
• InChIKey: OCYVVXJBLSMCSP-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.63
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide (CID 3462979) is 3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide.

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

The canonical SMILES for 3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide is Cc1ccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)CC(C)CC(C)(C)C)c4)cc3C2)cc1.

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

The InChIKey is OCYVVXJBLSMCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-20-9-11-22(12-10-20)29(34)32-14-13-26-24(19-32)17-27(35-26)23-7-6-8-25(16-23)31-28(33)15-21(2)18-30(3,4)5/h6-12,16-17,21H,13-15,18-19H2,1-5H3,(H,31,33).

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

3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide has a molecular weight of 472.63 g/mol, XLogP of 6.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5,5-trimethyl-N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]hexanamide is sourced from PubChem (CID 3462979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).