(2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide

C27H30N4O5 — CID 158200282

About (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide

(2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide (PubChem CID 158200282) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide.

Molecular Properties

• Compound Name: (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide
• PubChem CID: 158200282
• Molecular Formula: C27H30N4O5
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.22
• IUPAC Name: (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide
• SMILES: COc1ccc(C[C@H](CC(=O)Cn2ccnn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1
• InChI: InChI=1S/C27H30N4O5/c1-27(18-36-27)25(33)24(15-19-6-4-3-5-7-19)29-26(34)21(14-20-8-10-23(35-2)11-9-20)16-22(32)17-31-13-12-28-30-31/h3-13,21,24H,14-18H2,1-2H3,(H,29,34)/t21-,24+,27-/m1/s1
• InChIKey: FBLDDADBPDDXDX-SSEPRJSISA-N
• XLogP: 2.19
• TPSA: 115.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide?

The IUPAC name of (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide (CID 158200282) is (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide.

What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide?

The canonical SMILES for (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide is COc1ccc(C[C@H](CC(=O)Cn2ccnn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1.

What is the InChIKey of (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide?

The InChIKey is FBLDDADBPDDXDX-SSEPRJSISA-N. The full InChI is InChI=1S/C27H30N4O5/c1-27(18-36-27)25(33)24(15-19-6-4-3-5-7-19)29-26(34)21(14-20-8-10-23(35-2)11-9-20)16-22(32)17-31-13-12-28-30-31/h3-13,21,24H,14-18H2,1-2H3,(H,29,34)/t21-,24+,27-/m1/s1.

What are the key properties of (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide?

(2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide has a molecular weight of 490.56 g/mol, XLogP of 2.19, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]-4-oxo-5-(triazol-1-yl)pentanamide is sourced from PubChem (CID 158200282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).