4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one

C22H33NO6 — CID 118482741

IUPAC4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one
SMILESCOCCOCOCCC(C(=O)N1C(=O)OCC1Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C22H33NO6/c1-22(2,3)19(10-11-27-16-28-13-12-26-4)20(24)23-18(15-29-21(23)25)14-17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3
InChIKeyOJWGCWCDNLZFLH-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.27
Rot. Bonds11

About 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 118482741) has the molecular formula C22H33NO6 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID118482741
Molecular FormulaC22H33NO6
Molecular Weight407.51 g/mol
Exact Mass407.23
IUPAC Name4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one
SMILESCOCCOCOCCC(C(=O)N1C(=O)OCC1Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C22H33NO6/c1-22(2,3)19(10-11-27-16-28-13-12-26-4)20(24)23-18(15-29-21(23)25)14-17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3
InChIKeyOJWGCWCDNLZFLH-UHFFFAOYSA-N
XLogP3.27
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
CID 20802578
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
methyl (2S,3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-2-methyl-4-oxobutanoate
CID 102002465
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(2R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-tert-butyl-4-oxobutanoic acid
CID 175148741
(4R)-4-benzyl-3-[(2S)-2-benzyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 10545886
4-benzyl-3-[(2S)-2-ethyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 175760920
(4S)-4-benzyl-3-(2-ethyl-3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 155316900
(4R)-4-benzyl-3-[(2R)-2-methyl-6-phenylmethoxyhexanoyl]-1,3-oxazolidin-2-one
CID 10318531
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-methylbutane-1,3-dione
CID 102120797
(4S)-4-benzyl-3-(3,3-dimethylbutanoyl)-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2R)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;methane
CID 157354684

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one (CID 118482741) is 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one is COCCOCOCCC(C(=O)N1C(=O)OCC1Cc1ccccc1)C(C)(C)C.
What is the InChIKey of 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is OJWGCWCDNLZFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO6/c1-22(2,3)19(10-11-27-16-28-13-12-26-4)20(24)23-18(15-29-21(23)25)14-17-8-6-5-7-9-17/h5-9,18-19H,10-16H2,1-4H3.
What are the key properties of 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 407.51 g/mol, XLogP of 3.27, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-[2-(2-methoxyethoxymethoxy)ethyl]-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118482741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).