N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

C24H33N3O4 — CID 123315085

About N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide

N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (PubChem CID 123315085) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
• PubChem CID: 123315085
• Molecular Formula: C24H33N3O4
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.25
• IUPAC Name: N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide
• SMILES: CCCOc1c(C)cnc(N2CCC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c1OC
• InChI: InChI=1S/C24H33N3O4/c1-6-13-30-22-16(2)14-25-24(23(22)29-5)27-12-11-21(15-27)31-20-9-7-19(8-10-20)17(3)26-18(4)28/h7-10,14,17,21H,6,11-13,15H2,1-5H3,(H,26,28)
• InChIKey: PQLJXPFLOTXEGZ-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?

The IUPAC name of N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide (CID 123315085) is N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide.

What is the SMILES notation for N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?

The canonical SMILES for N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is CCCOc1c(C)cnc(N2CCC(Oc3ccc(C(C)NC(C)=O)cc3)C2)c1OC.

What is the InChIKey of N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?

The InChIKey is PQLJXPFLOTXEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-6-13-30-22-16(2)14-25-24(23(22)29-5)27-12-11-21(15-27)31-20-9-7-19(8-10-20)17(3)26-18(4)28/h7-10,14,17,21H,6,11-13,15H2,1-5H3,(H,26,28).

What are the key properties of N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide?

N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[1-(3-methoxy-5-methyl-4-propoxy-2-pyridinyl)pyrrolidin-3-yl]oxyphenyl]ethyl]acetamide is sourced from PubChem (CID 123315085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).