2,6-dimethoxy-N-(2-phenylethyl)benzamide

C17H19NO3 — CID 597015

IUPAC2,6-dimethoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-20-14-9-6-10-15(21-2)16(14)17(19)18-12-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyYISMITNRIGMMMD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.68
Rot. Bonds6

About 2,6-dimethoxy-N-(2-phenylethyl)benzamide

2,6-dimethoxy-N-(2-phenylethyl)benzamide (PubChem CID 597015) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-phenylethyl)benzamide
PubChem CID597015
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2,6-dimethoxy-N-(2-phenylethyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-20-14-9-6-10-15(21-2)16(14)17(19)18-12-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyYISMITNRIGMMMD-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2-phenylethyl)benzamide (CID 597015) is 2,6-dimethoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-phenylethyl)benzamide is COc1cccc(OC)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 2,6-dimethoxy-N-(2-phenylethyl)benzamide?
The InChIKey is YISMITNRIGMMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-14-9-6-10-15(21-2)16(14)17(19)18-12-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2,6-dimethoxy-N-(2-phenylethyl)benzamide?
2,6-dimethoxy-N-(2-phenylethyl)benzamide has a molecular weight of 285.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 597015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).