3,5-dimethoxy-N-(2-phenoxyethyl)benzamide

C17H19NO4 — CID 2173139

IUPAC3,5-dimethoxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C17H19NO4/c1-20-15-10-13(11-16(12-15)21-2)17(19)18-8-9-22-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,18,19)
InChIKeyJIEDBENFDWOMAB-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.51
Rot. Bonds7

About 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide

3,5-dimethoxy-N-(2-phenoxyethyl)benzamide (PubChem CID 2173139) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-phenoxyethyl)benzamide
PubChem CID2173139
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3,5-dimethoxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCOc2ccccc2)c1
InChIInChI=1S/C17H19NO4/c1-20-15-10-13(11-16(12-15)21-2)17(19)18-8-9-22-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,18,19)
InChIKeyJIEDBENFDWOMAB-UHFFFAOYSA-N
XLogP2.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide (CID 2173139) is 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide is COc1cc(OC)cc(C(=O)NCCOc2ccccc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide?
The InChIKey is JIEDBENFDWOMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-20-15-10-13(11-16(12-15)21-2)17(19)18-8-9-22-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide?
3,5-dimethoxy-N-(2-phenoxyethyl)benzamide has a molecular weight of 301.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 2173139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).