N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide

C23H34FN3O4 — CID 26138206

About N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide

N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 26138206) has the molecular formula C23H34FN3O4 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
• PubChem CID: 26138206
• Molecular Formula: C23H34FN3O4
• Molecular Weight: 435.54 g/mol
• Exact Mass: 435.25
• IUPAC Name: N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
• SMILES: CC(=O)N[C@@H](C(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2ccccc2F)C1)C(C)C
• InChI: InChI=1S/C23H34FN3O4/c1-15(2)10-26-11-19(31-14-18-8-6-7-9-20(18)24)12-27(13-21(26)29)23(30)22(16(3)4)25-17(5)28/h6-9,15-16,19,22H,10-14H2,1-5H3,(H,25,28)/t19-,22-/m1/s1
• InChIKey: JBGLRJWSEQSPPS-DENIHFKCSA-N
• XLogP: 2.20
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.54
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?

The IUPAC name of N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide (CID 26138206) is N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide.

What is the SMILES notation for N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?

The canonical SMILES for N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide is CC(=O)N[C@@H](C(=O)N1CC(=O)N(CC(C)C)C[C@@H](OCc2ccccc2F)C1)C(C)C.

What is the InChIKey of N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?

The InChIKey is JBGLRJWSEQSPPS-DENIHFKCSA-N. The full InChI is InChI=1S/C23H34FN3O4/c1-15(2)10-26-11-19(31-14-18-8-6-7-9-20(18)24)12-27(13-21(26)29)23(30)22(16(3)4)25-17(5)28/h6-9,15-16,19,22H,10-14H2,1-5H3,(H,25,28)/t19-,22-/m1/s1.

What are the key properties of N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide?

N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 435.54 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(6R)-6-[(2-fluorophenyl)methoxy]-4-(2-methylpropyl)-3-oxo-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 26138206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).