2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide

C25H29N3O3 — CID 55859591

About 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide (PubChem CID 55859591) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
• PubChem CID: 55859591
• Molecular Formula: C25H29N3O3
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.22
• IUPAC Name: 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
• SMILES: C=CCc1ccc(OCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c(OC)c1
• InChI: InChI=1S/C25H29N3O3/c1-5-7-19-10-11-22(23(15-19)30-4)31-17-24(29)27-21-9-6-8-20(14-21)16-28-13-12-26-25(28)18(2)3/h5-6,8-15,18H,1,7,16-17H2,2-4H3,(H,27,29)
• InChIKey: KDDNULUILUCJKF-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide (CID 55859591) is 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide is C=CCc1ccc(OCC(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)c(OC)c1.

What is the InChIKey of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?

The InChIKey is KDDNULUILUCJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-5-7-19-10-11-22(23(15-19)30-4)31-17-24(29)27-21-9-6-8-20(14-21)16-28-13-12-26-25(28)18(2)3/h5-6,8-15,18H,1,7,16-17H2,2-4H3,(H,27,29).

What are the key properties of 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide?

2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 55859591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).