2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide

C21H30N2O3 — CID 91778926

About 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide

2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide (PubChem CID 91778926) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide
• PubChem CID: 91778926
• Molecular Formula: C21H30N2O3
• Molecular Weight: 358.48 g/mol
• Exact Mass: 358.23
• IUPAC Name: 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide
• SMILES: CN(CC(=O)NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCCC1
• InChI: InChI=1S/C21H30N2O3/c1-23(17-4-2-3-5-17)13-20(25)22-21(16-11-18(24)12-16)15-6-7-19-14(10-15)8-9-26-19/h6-7,10,16-18,21,24H,2-5,8-9,11-13H2,1H3,(H,22,25)
• InChIKey: FOOMRYZXCPMZPP-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.48
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide?

The IUPAC name of 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide (CID 91778926) is 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide.

What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide?

The canonical SMILES for 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide is CN(CC(=O)NC(c1ccc2c(c1)CCO2)C1CC(O)C1)C1CCCC1.

What is the InChIKey of 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide?

The InChIKey is FOOMRYZXCPMZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-23(17-4-2-3-5-17)13-20(25)22-21(16-11-18(24)12-16)15-6-7-19-14(10-15)8-9-26-19/h6-7,10,16-18,21,24H,2-5,8-9,11-13H2,1H3,(H,22,25).

What are the key properties of 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide?

2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide has a molecular weight of 358.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide is sourced from PubChem (CID 91778926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).