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

C30H33N3O4 — CID 122184719

IUPAC3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide
SMILESCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@@H]3Cc3ccccc3)c2)cc1
InChIInChI=1S/C30H33N3O4/c1-2-3-7-17-31-28(34)24-13-15-26(16-14-24)32-29(35)25-12-8-11-23(18-25)20-33-27(21-37-30(33)36)19-22-9-5-4-6-10-22/h4-6,8-16,18,27H,2-3,7,17,19-21H2,1H3,(H,31,34)(H,32,35)/t27-/m0/s1
InChIKeyMZEDRPVZWIJFGP-MHZLTWQESA-N
MW499.61 g/mol
LogP5.42
Rot. Bonds11

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

3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide (PubChem CID 122184719) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide
PubChem CID122184719
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC Name3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide
SMILESCCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@@H]3Cc3ccccc3)c2)cc1
InChIInChI=1S/C30H33N3O4/c1-2-3-7-17-31-28(34)24-13-15-26(16-14-24)32-29(35)25-12-8-11-23(18-25)20-33-27(21-37-30(33)36)19-22-9-5-4-6-10-22/h4-6,8-16,18,27H,2-3,7,17,19-21H2,1H3,(H,31,34)(H,32,35)/t27-/m0/s1
InChIKeyMZEDRPVZWIJFGP-MHZLTWQESA-N
XLogP5.42
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 55.42
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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Related Compounds

3-[[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide
CID 86582930
3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]benzamide
CID 122184717
3-[(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)methyl]-N-[4-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]benzamide
CID 121331678
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
4-N-[4-(dimethylamino)phenyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048766
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536

Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide (CID 122184719) is 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide is CCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@@H]3Cc3ccccc3)c2)cc1.
What is the InChIKey of 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide?
The InChIKey is MZEDRPVZWIJFGP-MHZLTWQESA-N. The full InChI is InChI=1S/C30H33N3O4/c1-2-3-7-17-31-28(34)24-13-15-26(16-14-24)32-29(35)25-12-8-11-23(18-25)20-33-27(21-37-30(33)36)19-22-9-5-4-6-10-22/h4-6,8-16,18,27H,2-3,7,17,19-21H2,1H3,(H,31,34)(H,32,35)/t27-/m0/s1.
What are the key properties of 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide?
3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide has a molecular weight of 499.61 g/mol, XLogP of 5.42, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-N-[4-(pentylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 122184719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).