N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide

C26H34ClN3O4 — CID 139966276

About N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide

N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 139966276) has the molecular formula C26H34ClN3O4 and a molecular weight of 488.03 g/mol. Its IUPAC name is N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide
• PubChem CID: 139966276
• Molecular Formula: C26H34ClN3O4
• Molecular Weight: 488.03 g/mol
• Exact Mass: 487.22
• IUPAC Name: N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide
• SMILES: Cc1ccc(NC(=O)CN2CCCC2)c(OCC(O)CN2CCC(Oc3ccc(Cl)cc3)C2)c1
• InChI: InChI=1S/C26H34ClN3O4/c1-19-4-9-24(28-26(32)17-29-11-2-3-12-29)25(14-19)33-18-21(31)15-30-13-10-23(16-30)34-22-7-5-20(27)6-8-22/h4-9,14,21,23,31H,2-3,10-13,15-18H2,1H3,(H,28,32)
• InChIKey: QLBNMJYIJWAJLH-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 74.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.03
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide?

The IUPAC name of N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide (CID 139966276) is N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide.

What is the SMILES notation for N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide?

The canonical SMILES for N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide is Cc1ccc(NC(=O)CN2CCCC2)c(OCC(O)CN2CCC(Oc3ccc(Cl)cc3)C2)c1.

What is the InChIKey of N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide?

The InChIKey is QLBNMJYIJWAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O4/c1-19-4-9-24(28-26(32)17-29-11-2-3-12-29)25(14-19)33-18-21(31)15-30-13-10-23(16-30)34-22-7-5-20(27)6-8-22/h4-9,14,21,23,31H,2-3,10-13,15-18H2,1H3,(H,28,32).

What are the key properties of N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide?

N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 488.03 g/mol, XLogP of 3.58, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]-4-methylphenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 139966276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).