2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C19H21NO3 — CID 795768

IUPAC2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
InChIInChI=1S/C19H21NO3/c1-22-14-10-11-16(18(12-14)23-2)19(21)20-17-9-5-7-13-6-3-4-8-15(13)17/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21)
InChIKeyOOEMKBMZBZPBDD-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.83
Rot. Bonds4

About 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 795768) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID795768
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1
InChIInChI=1S/C19H21NO3/c1-22-14-10-11-16(18(12-14)23-2)19(21)20-17-9-5-7-13-6-3-4-8-15(13)17/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21)
InChIKeyOOEMKBMZBZPBDD-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 795768) is 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is COc1ccc(C(=O)Nc2cccc3c2CCCC3)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is OOEMKBMZBZPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-14-10-11-16(18(12-14)23-2)19(21)20-17-9-5-7-13-6-3-4-8-15(13)17/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21).
What are the key properties of 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 795768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).