3,4-dimethoxy-N-(2-phenylethyl)benzamide

C17H19NO3 — CID 819330

IUPAC3,4-dimethoxy-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-15-9-8-14(12-16(15)21-2)17(19)18-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyLZEQRSQDBDGXQA-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.68
Rot. Bonds6

About 3,4-dimethoxy-N-(2-phenylethyl)benzamide

3,4-dimethoxy-N-(2-phenylethyl)benzamide (PubChem CID 819330) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-phenylethyl)benzamide
PubChem CID819330
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3,4-dimethoxy-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C17H19NO3/c1-20-15-9-8-14(12-16(15)21-2)17(19)18-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyLZEQRSQDBDGXQA-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 3,4-dimethoxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-phenylethyl)benzamide (CID 819330) is 3,4-dimethoxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-phenylethyl)benzamide is COc1ccc(C(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-phenylethyl)benzamide?
The InChIKey is LZEQRSQDBDGXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-20-15-9-8-14(12-16(15)21-2)17(19)18-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3,4-dimethoxy-N-(2-phenylethyl)benzamide?
3,4-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 3,4-dimethoxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 819330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).