3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide

C20H19NO4 — CID 835401

IUPAC3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-17-11-15(12-18(24-2)19(17)25-3)20(22)21-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,1-3H3,(H,21,22)
InChIKeyLPSNHFCWSAABIN-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.12
Rot. Bonds5

About 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide

3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide (PubChem CID 835401) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide
PubChem CID835401
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C20H19NO4/c1-23-17-11-15(12-18(24-2)19(17)25-3)20(22)21-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,1-3H3,(H,21,22)
InChIKeyLPSNHFCWSAABIN-UHFFFAOYSA-N
XLogP4.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide (CID 835401) is 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide is COc1cc(C(=O)Nc2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide?
The InChIKey is LPSNHFCWSAABIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-23-17-11-15(12-18(24-2)19(17)25-3)20(22)21-16-9-8-13-6-4-5-7-14(13)10-16/h4-12H,1-3H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide?
3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 835401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).