[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate

C29H41N3O6 — CID 56991299

About [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate

[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate (PubChem CID 56991299) has the molecular formula C29H41N3O6 and a molecular weight of 527.66 g/mol. Its IUPAC name is [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate.

Molecular Properties

• Compound Name: [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate
• PubChem CID: 56991299
• Molecular Formula: C29H41N3O6
• Molecular Weight: 527.66 g/mol
• Exact Mass: 527.30
• IUPAC Name: [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate
• SMILES: CCCCCCCCCC(=O)OCC(=O)N1CC=C(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)CC1
• InChI: InChI=1S/C29H41N3O6/c1-3-4-5-6-7-8-9-10-28(35)37-21-27(34)31-17-15-24(16-18-31)23-11-13-25(14-12-23)32-20-26(38-29(32)36)19-30-22(2)33/h11-15,26H,3-10,16-21H2,1-2H3,(H,30,33)/t26-/m0/s1
• InChIKey: ZDETYAXNSGNYBR-SANMLTNESA-N
• XLogP: 4.45
• TPSA: 105.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.66
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate?

The IUPAC name of [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate (CID 56991299) is [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate.

What is the SMILES notation for [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate?

The canonical SMILES for [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate is CCCCCCCCCC(=O)OCC(=O)N1CC=C(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2)CC1.

What is the InChIKey of [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate?

The InChIKey is ZDETYAXNSGNYBR-SANMLTNESA-N. The full InChI is InChI=1S/C29H41N3O6/c1-3-4-5-6-7-8-9-10-28(35)37-21-27(34)31-17-15-24(16-18-31)23-11-13-25(14-12-23)32-20-26(38-29(32)36)19-30-22(2)33/h11-15,26H,3-10,16-21H2,1-2H3,(H,30,33)/t26-/m0/s1.

What are the key properties of [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate?

[2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate has a molecular weight of 527.66 g/mol, XLogP of 4.45, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl] decanoate is sourced from PubChem (CID 56991299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).