(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide

C15H22N2O3 — CID 119272698

About (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide

(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide (PubChem CID 119272698) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
• PubChem CID: 119272698
• Molecular Formula: C15H22N2O3
• Molecular Weight: 278.35 g/mol
• Exact Mass: 278.16
• IUPAC Name: (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
• SMILES: CCOc1cc2c(cc1CNC(=O)[C@H](C)N)OC(C)C2
• InChI: InChI=1S/C15H22N2O3/c1-4-19-13-6-11-5-9(2)20-14(11)7-12(13)8-17-15(18)10(3)16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,18)/t9?,10-/m0/s1
• InChIKey: BRYMCQYGLRSODC-AXDSSHIGSA-N
• XLogP: 1.37
• TPSA: 73.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.35
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide?

The IUPAC name of (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide (CID 119272698) is (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide.

What is the SMILES notation for (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide?

The canonical SMILES for (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide is CCOc1cc2c(cc1CNC(=O)[C@H](C)N)OC(C)C2.

What is the InChIKey of (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide?

The InChIKey is BRYMCQYGLRSODC-AXDSSHIGSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-19-13-6-11-5-9(2)20-14(11)7-12(13)8-17-15(18)10(3)16/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,18)/t9?,10-/m0/s1.

What are the key properties of (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide?

(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide is sourced from PubChem (CID 119272698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).