3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C20H23NO4 — CID 5006032

IUPAC3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1cc(C(=O)NC2CCCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-23-17-11-14(12-18(24-2)19(17)25-3)20(22)21-16-10-6-8-13-7-4-5-9-15(13)16/h4-5,7,9,11-12,16H,6,8,10H2,1-3H3,(H,21,22)
InChIKeyMUWAAARTORCHBJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.52
Rot. Bonds5

About 3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 5006032) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID5006032
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1cc(C(=O)NC2CCCc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-23-17-11-14(12-18(24-2)19(17)25-3)20(22)21-16-10-6-8-13-7-4-5-9-15(13)16/h4-5,7,9,11-12,16H,6,8,10H2,1-3H3,(H,21,22)
InChIKeyMUWAAARTORCHBJ-UHFFFAOYSA-N
XLogP3.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.52
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-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 5006032) is 3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is COc1cc(C(=O)NC2CCCc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is MUWAAARTORCHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-11-14(12-18(24-2)19(17)25-3)20(22)21-16-10-6-8-13-7-4-5-9-15(13)16/h4-5,7,9,11-12,16H,6,8,10H2,1-3H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.52, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 5006032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).