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

C24H26N4O4 — CID 67265546

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

N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide (PubChem CID 67265546) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide
• PubChem CID: 67265546
• Molecular Formula: C24H26N4O4
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.20
• IUPAC Name: N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide
• SMILES: Cn1nccc1-c1cc(NC(=O)C(Cc2ccccc2)C2=COCO2)ccc1OCCN
• InChI: InChI=1S/C24H26N4O4/c1-28-21(9-11-26-28)19-14-18(7-8-22(19)31-12-10-25)27-24(29)20(23-15-30-16-32-23)13-17-5-3-2-4-6-17/h2-9,11,14-15,20H,10,12-13,16,25H2,1H3,(H,27,29)
• InChIKey: MLMJAMNOKRBVNG-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide (CID 67265546) is N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide.

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

The canonical SMILES for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide is Cn1nccc1-c1cc(NC(=O)C(Cc2ccccc2)C2=COCO2)ccc1OCCN.

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

The InChIKey is MLMJAMNOKRBVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-28-21(9-11-26-28)19-14-18(7-8-22(19)31-12-10-25)27-24(29)20(23-15-30-16-32-23)13-17-5-3-2-4-6-17/h2-9,11,14-15,20H,10,12-13,16,25H2,1H3,(H,27,29).

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

N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide has a molecular weight of 434.50 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-aminoethoxy)-3-(2-methylpyrazol-3-yl)phenyl]-2-(1,3-dioxol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 67265546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).