4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one

C34H42N2O6 — CID 10603786

About 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one

4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one (PubChem CID 10603786) has the molecular formula C34H42N2O6 and a molecular weight of 574.72 g/mol. Its IUPAC name is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
• PubChem CID: 10603786
• Molecular Formula: C34H42N2O6
• Molecular Weight: 574.72 g/mol
• Exact Mass: 574.30
• IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one
• SMILES: COc1cccc(COc2cc(OCCN(C)C)cc(N3CC(c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1
• InChI: InChI=1S/C34H42N2O6/c1-35(2)14-15-40-30-19-27(20-31(21-30)41-23-24-8-7-11-29(16-24)38-3)36-22-26(18-34(36)37)25-12-13-32(39-4)33(17-25)42-28-9-5-6-10-28/h7-8,11-13,16-17,19-21,26,28H,5-6,9-10,14-15,18,22-23H2,1-4H3
• InChIKey: RJHCERKQNVBXKO-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 69.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.72
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?

The IUPAC name of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one (CID 10603786) is 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one.

What is the SMILES notation for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?

The canonical SMILES for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one is COc1cccc(COc2cc(OCCN(C)C)cc(N3CC(c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1.

What is the InChIKey of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?

The InChIKey is RJHCERKQNVBXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N2O6/c1-35(2)14-15-40-30-19-27(20-31(21-30)41-23-24-8-7-11-29(16-24)38-3)36-22-26(18-34(36)37)25-12-13-32(39-4)33(17-25)42-28-9-5-6-10-28/h7-8,11-13,16-17,19-21,26,28H,5-6,9-10,14-15,18,22-23H2,1-4H3.

What are the key properties of 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one?

4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 574.72 g/mol, XLogP of 6.07, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[3-[2-(dimethylamino)ethoxy]-5-[(3-methoxyphenyl)methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 10603786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).