3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one

C33H34N2O3 — CID 44352903

About 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one

3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 44352903) has the molecular formula C33H34N2O3 and a molecular weight of 506.60 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
• PubChem CID: 44352903
• Molecular Formula: C33H34N2O3
• Molecular Weight: 506.60 g/mol
• Exact Mass: 506.26
• IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one
• SMILES: COC1=C(C=C(C=C1)C2(CCN(C2=O)CC3=CC4=CC=CC=C4C=C3)CC5=CC=NC=C5)OC6CCCC6
• InChI: InChI=1S/C33H34N2O3/c1-37-30-13-12-28(21-31(30)38-29-8-4-5-9-29)33(22-24-14-17-34-18-15-24)16-19-35(32(33)36)23-25-10-11-26-6-2-3-7-27(26)20-25/h2-3,6-7,10-15,17-18,20-21,29H,4-5,8-9,16,19,22-23H2,1H3
• InChIKey: WDIRFWGTTLSFDP-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 51.70 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: 778

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.60
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one?

The IUPAC name of 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one (CID 44352903) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one.

What is the SMILES notation for 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one?

The canonical SMILES for 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one is COC1=C(C=C(C=C1)C2(CCN(C2=O)CC3=CC4=CC=CC=C4C=C3)CC5=CC=NC=C5)OC6CCCC6.

What is the InChIKey of 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one?

The InChIKey is WDIRFWGTTLSFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O3/c1-37-30-13-12-28(21-31(30)38-29-8-4-5-9-29)33(22-24-14-17-34-18-15-24)16-19-35(32(33)36)23-25-10-11-26-6-2-3-7-27(26)20-25/h2-3,6-7,10-15,17-18,20-21,29H,4-5,8-9,16,19,22-23H2,1H3.

What are the key properties of 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one?

3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 506.60 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)-3-(pyridin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 44352903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).