2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide

C28H32N4O5 — CID 66928270

About 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide

2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide (PubChem CID 66928270) has the molecular formula C28H32N4O5 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide
• PubChem CID: 66928270
• Molecular Formula: C28H32N4O5
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.24
• IUPAC Name: 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide
• SMILES: Cn1nccc1-c1cc(NC(=O)C(Cc2ccccc2)C2=COCO2)ccc1OCCN1CCOCC1
• InChI: InChI=1S/C28H32N4O5/c1-31-25(9-10-29-31)23-18-22(7-8-26(23)36-16-13-32-11-14-34-15-12-32)30-28(33)24(27-19-35-20-37-27)17-21-5-3-2-4-6-21/h2-10,18-19,24H,11-17,20H2,1H3,(H,30,33)
• InChIKey: LCDJEZXRIPIRAN-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 87.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide?

The IUPAC name of 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide (CID 66928270) is 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide.

What is the SMILES notation for 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide?

The canonical SMILES for 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide is Cn1nccc1-c1cc(NC(=O)C(Cc2ccccc2)C2=COCO2)ccc1OCCN1CCOCC1.

What is the InChIKey of 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide?

The InChIKey is LCDJEZXRIPIRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5/c1-31-25(9-10-29-31)23-18-22(7-8-26(23)36-16-13-32-11-14-34-15-12-32)30-28(33)24(27-19-35-20-37-27)17-21-5-3-2-4-6-21/h2-10,18-19,24H,11-17,20H2,1H3,(H,30,33).

What are the key properties of 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide?

2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide has a molecular weight of 504.59 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dioxol-4-yl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 66928270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).