3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C19H21NO3 — CID 795445

IUPAC3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1OC
InChIInChI=1S/C19H21NO3/c1-22-17-11-10-14(12-18(17)23-2)19(21)20-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21)
InChIKeyQQJMSQQWSFOWMQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.83
Rot. Bonds4

About 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 795445) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
PubChem CID795445
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1OC
InChIInChI=1S/C19H21NO3/c1-22-17-11-10-14(12-18(17)23-2)19(21)20-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21)
InChIKeyQQJMSQQWSFOWMQ-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

Analyze 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 795445) is 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is COc1ccc(C(=O)Nc2cccc3c2CCCC3)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is QQJMSQQWSFOWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-17-11-10-14(12-18(17)23-2)19(21)20-16-9-5-7-13-6-3-4-8-15(13)16/h5,7,9-12H,3-4,6,8H2,1-2H3,(H,20,21).
What are the key properties of 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?
3,4-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 3,4-dimethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 795445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).