3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C24H32N2O5 — CID 55772596

About 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 55772596) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
• PubChem CID: 55772596
• Molecular Formula: C24H32N2O5
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.23
• IUPAC Name: 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
• SMILES: COc1ccc(C(NC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)C(C)C)cc1
• InChI: InChI=1S/C24H32N2O5/c1-15(2)23(17-7-10-19(29-5)11-8-17)26-24(28)18-9-12-20(21(13-18)30-6)31-14-22(27)25-16(3)4/h7-13,15-16,23H,14H2,1-6H3,(H,25,27)(H,26,28)
• InChIKey: FLHXMYPBVFZIJQ-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?

The IUPAC name of 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 55772596) is 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

What is the SMILES notation for 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?

The canonical SMILES for 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is COc1ccc(C(NC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)C(C)C)cc1.

What is the InChIKey of 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?

The InChIKey is FLHXMYPBVFZIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-15(2)23(17-7-10-19(29-5)11-8-17)26-24(28)18-9-12-20(21(13-18)30-6)31-14-22(27)25-16(3)4/h7-13,15-16,23H,14H2,1-6H3,(H,25,27)(H,26,28).

What are the key properties of 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?

3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 428.53 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 55772596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).