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

C29H32N2O4 — CID 4161020

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

3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (PubChem CID 4161020) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• PubChem CID: 4161020
• Molecular Formula: C29H32N2O4
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.24
• IUPAC Name: 3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• SMILES: COc1ccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)CCC5CCCC5)c4)cc3C2)cc1
• InChI: InChI=1S/C29H32N2O4/c1-34-25-12-10-21(11-13-25)29(33)31-16-15-26-23(19-31)18-27(35-26)22-7-4-8-24(17-22)30-28(32)14-9-20-5-2-3-6-20/h4,7-8,10-13,17-18,20H,2-3,5-6,9,14-16,19H2,1H3,(H,30,32)
• InChIKey: WSKLLEUZRUVFHC-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (CID 4161020) is 3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

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

The canonical SMILES for 3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is COc1ccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)CCC5CCCC5)c4)cc3C2)cc1.

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

The InChIKey is WSKLLEUZRUVFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-34-25-12-10-21(11-13-25)29(33)31-16-15-26-23(19-31)18-27(35-26)22-7-4-8-24(17-22)30-28(32)14-9-20-5-2-3-6-20/h4,7-8,10-13,17-18,20H,2-3,5-6,9,14-16,19H2,1H3,(H,30,32).

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

3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide has a molecular weight of 472.59 g/mol, XLogP of 6.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[3-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is sourced from PubChem (CID 4161020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).