4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide

C15H23NO4 — CID 65471375

IUPAC4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide
SMILESCCOC(COc1c(C)cc(C(N)=O)cc1C)OCC
InChIInChI=1S/C15H23NO4/c1-5-18-13(19-6-2)9-20-14-10(3)7-12(15(16)17)8-11(14)4/h7-8,13H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyOJDRJXOIMKAFSQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.18
Rot. Bonds8

About 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide

4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide (PubChem CID 65471375) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide
PubChem CID65471375
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide
SMILESCCOC(COc1c(C)cc(C(N)=O)cc1C)OCC
InChIInChI=1S/C15H23NO4/c1-5-18-13(19-6-2)9-20-14-10(3)7-12(15(16)17)8-11(14)4/h7-8,13H,5-6,9H2,1-4H3,(H2,16,17)
InChIKeyOJDRJXOIMKAFSQ-UHFFFAOYSA-N
XLogP2.18
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
CID 13416780
4-(3,3-dimethyl-2-oxobutoxy)-3,5-dimethylbenzamide
CID 65471566
4-(2,2-diethoxyethoxy)-3-nitrobenzamide
CID 63628246
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397
butyl 2-(4-carbamoyl-2,6-dimethylphenoxy)acetate
CID 65453910
2-(2,2-diethoxyethoxy)-1,5-dimethyl-3-nitrobenzene
CID 63628413
4-(2-hydroxybutoxy)-3,5-dimethylbenzoic acid
CID 60886659
5-bromo-2-(2,2-diethoxyethoxy)-1-methyl-3-nitrobenzene
CID 79842583
4-(2-cyclopentyl-2-oxoethoxy)-3,5-dimethylbenzamide
CID 104752126
ethyl 2-(4-carbamothioyl-2,6-dimethylphenoxy)acetate
CID 65470204
4-ethoxy-3,5-diiodobenzamide
CID 24834347
4-(2,2-difluoroethoxy)-3,5-dimethylbenzenecarbothioamide
CID 65471348

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide?
The IUPAC name of 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide (CID 65471375) is 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide.
What is the SMILES notation for 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide?
The canonical SMILES for 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide is CCOC(COc1c(C)cc(C(N)=O)cc1C)OCC.
What is the InChIKey of 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide?
The InChIKey is OJDRJXOIMKAFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-18-13(19-6-2)9-20-14-10(3)7-12(15(16)17)8-11(14)4/h7-8,13H,5-6,9H2,1-4H3,(H2,16,17).
What are the key properties of 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide?
4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide has a molecular weight of 281.35 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethoxy)-3,5-dimethylbenzamide is sourced from PubChem (CID 65471375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).