2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide

C20H19NO3 — CID 2666021

IUPAC2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(CC(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C20H19NO3/c1-23-18-11-10-14(12-19(18)24-2)13-20(22)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyTXTCCHCWUICWST-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.04
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide

2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide (PubChem CID 2666021) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
PubChem CID2666021
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(CC(=O)Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C20H19NO3/c1-23-18-11-10-14(12-19(18)24-2)13-20(22)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyTXTCCHCWUICWST-UHFFFAOYSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide (CID 2666021) is 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide is COc1ccc(CC(=O)Nc2cccc3ccccc23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide?
The InChIKey is TXTCCHCWUICWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-23-18-11-10-14(12-19(18)24-2)13-20(22)21-17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide?
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide has a molecular weight of 321.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 2666021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).