2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide

C21H24N2O5 — CID 93121503

About 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide

2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide (PubChem CID 93121503) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide
• PubChem CID: 93121503
• Molecular Formula: C21H24N2O5
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.17
• IUPAC Name: 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide
• SMILES: COCC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1OC)C(=O)[C@H](C)O2
• InChI: InChI=1S/C21H24N2O5/c1-14-21(25)23(11-15-6-4-5-7-18(15)27-3)12-16-10-17(8-9-19(16)28-14)22-20(24)13-26-2/h4-10,14H,11-13H2,1-3H3,(H,22,24)/t14-/m0/s1
• InChIKey: KBUJIROYVOHFIK-AWEZNQCLSA-N
• XLogP: 2.59
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide?

The IUPAC name of 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide (CID 93121503) is 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide.

What is the SMILES notation for 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide?

The canonical SMILES for 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide is COCC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1OC)C(=O)[C@H](C)O2.

What is the InChIKey of 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide?

The InChIKey is KBUJIROYVOHFIK-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14-21(25)23(11-15-6-4-5-7-18(15)27-3)12-16-10-17(8-9-19(16)28-14)22-20(24)13-26-2/h4-10,14H,11-13H2,1-3H3,(H,22,24)/t14-/m0/s1.

What are the key properties of 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide?

2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide has a molecular weight of 384.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[(2S)-4-[(2-methoxyphenyl)methyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]acetamide is sourced from PubChem (CID 93121503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).