N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

C24H28N2O4 — CID 8916116

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (PubChem CID 8916116) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
• PubChem CID: 8916116
• Molecular Formula: C24H28N2O4
• Molecular Weight: 408.50 g/mol
• Exact Mass: 408.20
• IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
• SMILES: CC(=O)c1cc2c(cc1NC(=O)CN(Cc1ccc(C(C)C)cc1)C1CC1)OCO2
• InChI: InChI=1S/C24H28N2O4/c1-15(2)18-6-4-17(5-7-18)12-26(19-8-9-19)13-24(28)25-21-11-23-22(29-14-30-23)10-20(21)16(3)27/h4-7,10-11,15,19H,8-9,12-14H2,1-3H3,(H,25,28)
• InChIKey: REMNFTRMGVBISH-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.50
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?

The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (CID 8916116) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.

What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?

The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is CC(=O)c1cc2c(cc1NC(=O)CN(Cc1ccc(C(C)C)cc1)C1CC1)OCO2.

What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?

The InChIKey is REMNFTRMGVBISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15(2)18-6-4-17(5-7-18)12-26(19-8-9-19)13-24(28)25-21-11-23-22(29-14-30-23)10-20(21)16(3)27/h4-7,10-11,15,19H,8-9,12-14H2,1-3H3,(H,25,28).

What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide has a molecular weight of 408.50 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 8916116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).