3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide

C37H47N3O4 — CID 90469425

IUPAC3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1
InChIInChI=1S/C37H47N3O4/c1-2-3-4-5-6-7-8-9-10-14-24-38-35(41)31-20-22-33(23-21-31)39-36(42)32-19-15-18-30(25-32)27-40-34(28-44-37(40)43)26-29-16-12-11-13-17-29/h11-13,15-23,25,34H,2-10,14,24,26-28H2,1H3,(H,38,41)(H,39,42)/t34-/m1/s1
InChIKeyKUYBUYXZVCDEPQ-UUWRZZSWSA-N
MW597.80 g/mol
LogP8.15
Rot. Bonds18

About 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide

3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide (PubChem CID 90469425) has the molecular formula C37H47N3O4 and a molecular weight of 597.80 g/mol. Its IUPAC name is 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide
PubChem CID90469425
Molecular FormulaC37H47N3O4
Molecular Weight597.80 g/mol
Exact Mass597.36
IUPAC Name3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide
SMILESCCCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1
InChIInChI=1S/C37H47N3O4/c1-2-3-4-5-6-7-8-9-10-14-24-38-35(41)31-20-22-33(23-21-31)39-36(42)32-19-15-18-30(25-32)27-40-34(28-44-37(40)43)26-29-16-12-11-13-17-29/h11-13,15-23,25,34H,2-10,14,24,26-28H2,1H3,(H,38,41)(H,39,42)/t34-/m1/s1
InChIKeyKUYBUYXZVCDEPQ-UUWRZZSWSA-N
XLogP8.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.80
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide (CID 90469425) is 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide is CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@H]3Cc3ccccc3)c2)cc1.
What is the InChIKey of 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide?
The InChIKey is KUYBUYXZVCDEPQ-UUWRZZSWSA-N. The full InChI is InChI=1S/C37H47N3O4/c1-2-3-4-5-6-7-8-9-10-14-24-38-35(41)31-20-22-33(23-21-31)39-36(42)32-19-15-18-30(25-32)27-40-34(28-44-37(40)43)26-29-16-12-11-13-17-29/h11-13,15-23,25,34H,2-10,14,24,26-28H2,1H3,(H,38,41)(H,39,42)/t34-/m1/s1.
What are the key properties of 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide?
3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide has a molecular weight of 597.80 g/mol, XLogP of 8.15, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(dodecylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 90469425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).