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

C27H30N2O4 — CID 42785278

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

N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide (PubChem CID 42785278) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide
• PubChem CID: 42785278
• Molecular Formula: C27H30N2O4
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.22
• IUPAC Name: N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide
• SMILES: COc1cccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)CC(C)(C)C)c4)cc3C2)c1
• InChI: InChI=1S/C27H30N2O4/c1-27(2,3)16-25(30)28-21-9-5-7-18(13-21)24-15-20-17-29(12-11-23(20)33-24)26(31)19-8-6-10-22(14-19)32-4/h5-10,13-15H,11-12,16-17H2,1-4H3,(H,28,30)
• InChIKey: UAMPTSISJXABAK-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide (CID 42785278) is N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide.

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

The canonical SMILES for N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide is COc1cccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)CC(C)(C)C)c4)cc3C2)c1.

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

The InChIKey is UAMPTSISJXABAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-27(2,3)16-25(30)28-21-9-5-7-18(13-21)24-15-20-17-29(12-11-23(20)33-24)26(31)19-8-6-10-22(14-19)32-4/h5-10,13-15H,11-12,16-17H2,1-4H3,(H,28,30).

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

N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide has a molecular weight of 446.55 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 42785278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).