N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C24H30N2O4 — CID 31736213

About N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 31736213) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 31736213
• Molecular Formula: C24H30N2O4
• Molecular Weight: 410.51 g/mol
• Exact Mass: 410.22
• IUPAC Name: N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: CCOc1cc2c(cc1CNC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)O[C@H](C)C2
• InChI: InChI=1S/C24H30N2O4/c1-5-29-20-12-18-11-16(4)30-21(18)13-19(20)14-25-24(28)22(15(2)3)26-23(27)17-9-7-6-8-10-17/h6-10,12-13,15-16,22H,5,11,14H2,1-4H3,(H,25,28)(H,26,27)/t16-,22+/m1/s1
• InChIKey: HAZVGTOUJUVFJE-ZHRRBRCNSA-N
• XLogP: 3.48
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.51
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 31736213) is N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

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

The canonical SMILES for N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1cc2c(cc1CNC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)O[C@H](C)C2.

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

The InChIKey is HAZVGTOUJUVFJE-ZHRRBRCNSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-5-29-20-12-18-11-16(4)30-21(18)13-19(20)14-25-24(28)22(15(2)3)26-23(27)17-9-7-6-8-10-17/h6-10,12-13,15-16,22H,5,11,14H2,1-4H3,(H,25,28)(H,26,27)/t16-,22+/m1/s1.

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

N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 410.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 31736213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).