3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide

C19H23NO5 — CID 2876995

IUPAC3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCOc2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C19H23NO5/c1-13-7-5-6-8-15(13)25-10-9-20-19(21)14-11-16(22-2)18(24-4)17(12-14)23-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeySNQYYLLSIRZVDW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.83
Rot. Bonds8

About 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide

3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 2876995) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID2876995
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCOc2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C19H23NO5/c1-13-7-5-6-8-15(13)25-10-9-20-19(21)14-11-16(22-2)18(24-4)17(12-14)23-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)
InChIKeySNQYYLLSIRZVDW-UHFFFAOYSA-N
XLogP2.83
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 2876995) is 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide is COc1cc(C(=O)NCCOc2ccccc2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is SNQYYLLSIRZVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-13-7-5-6-8-15(13)25-10-9-20-19(21)14-11-16(22-2)18(24-4)17(12-14)23-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21).
What are the key properties of 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(2-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 2876995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).