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

C30H34N2O3 — CID 42785069

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

3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (PubChem CID 42785069) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• PubChem CID: 42785069
• Molecular Formula: C30H34N2O3
• Molecular Weight: 470.61 g/mol
• Exact Mass: 470.26
• IUPAC Name: 3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• SMILES: O=C(CCC1CCCC1)Nc1ccc(-c2cc3c(o2)CCN(C(=O)CCc2ccccc2)C3)cc1
• InChI: InChI=1S/C30H34N2O3/c33-29(16-10-22-8-4-5-9-22)31-26-14-12-24(13-15-26)28-20-25-21-32(19-18-27(25)35-28)30(34)17-11-23-6-2-1-3-7-23/h1-3,6-7,12-15,20,22H,4-5,8-11,16-19,21H2,(H,31,33)
• InChIKey: FIYIOUYTPMUJNP-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.61
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (CID 42785069) is 3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

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

The canonical SMILES for 3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is O=C(CCC1CCCC1)Nc1ccc(-c2cc3c(o2)CCN(C(=O)CCc2ccccc2)C3)cc1.

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

The InChIKey is FIYIOUYTPMUJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c33-29(16-10-22-8-4-5-9-22)31-26-14-12-24(13-15-26)28-20-25-21-32(19-18-27(25)35-28)30(34)17-11-23-6-2-1-3-7-23/h1-3,6-7,12-15,20,22H,4-5,8-11,16-19,21H2,(H,31,33).

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

3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide has a molecular weight of 470.61 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[4-[5-(3-phenylpropanoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is sourced from PubChem (CID 42785069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).