4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide

C21H25NO3 — CID 133202152

IUPAC4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NC2CCCc3cc(OC)ccc32)cc1C
InChIInChI=1S/C21H25NO3/c1-4-25-20-11-8-16(12-14(20)2)21(23)22-19-7-5-6-15-13-17(24-3)9-10-18(15)19/h8-13,19H,4-7H2,1-3H3,(H,22,23)
InChIKeyHFZYABOIYSIFAJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.21
Rot. Bonds5

About 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide

4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide (PubChem CID 133202152) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide
PubChem CID133202152
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NC2CCCc3cc(OC)ccc32)cc1C
InChIInChI=1S/C21H25NO3/c1-4-25-20-11-8-16(12-14(20)2)21(23)22-19-7-5-6-15-13-17(24-3)9-10-18(15)19/h8-13,19H,4-7H2,1-3H3,(H,22,23)
InChIKeyHFZYABOIYSIFAJ-UHFFFAOYSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46766625
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133251974
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100626716
3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100749910
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4879241
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
ethyl 2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 61498112
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72843548
2-(4-ethoxy-N-methylsulfonylanilino)-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43895646
4-chloro-2-fluoro-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 97429752

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide?
The IUPAC name of 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide (CID 133202152) is 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide.
What is the SMILES notation for 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide?
The canonical SMILES for 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide is CCOc1ccc(C(=O)NC2CCCc3cc(OC)ccc32)cc1C.
What is the InChIKey of 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide?
The InChIKey is HFZYABOIYSIFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-4-25-20-11-8-16(12-14(20)2)21(23)22-19-7-5-6-15-13-17(24-3)9-10-18(15)19/h8-13,19H,4-7H2,1-3H3,(H,22,23).
What are the key properties of 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide?
4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide is sourced from PubChem (CID 133202152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).