N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide

C18H21NO3 — CID 2953368

IUPACN-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3occc32)cc1
InChIInChI=1S/C18H21NO3/c1-18(2)10-15(14-8-9-22-16(14)11-18)19-17(20)12-4-6-13(21-3)7-5-12/h4-9,15H,10-11H2,1-3H3,(H,19,20)
InChIKeySVVNTIGIJRROQK-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.73
Rot. Bonds3

About N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide

N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide (PubChem CID 2953368) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide
PubChem CID2953368
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3occc32)cc1
InChIInChI=1S/C18H21NO3/c1-18(2)10-15(14-8-9-22-16(14)11-18)19-17(20)12-4-6-13(21-3)7-5-12/h4-9,15H,10-11H2,1-3H3,(H,19,20)
InChIKeySVVNTIGIJRROQK-UHFFFAOYSA-N
XLogP3.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide?
The IUPAC name of N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide (CID 2953368) is N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide?
The canonical SMILES for N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CC(C)(C)Cc3occc32)cc1.
What is the InChIKey of N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide?
The InChIKey is SVVNTIGIJRROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-18(2)10-15(14-8-9-22-16(14)11-18)19-17(20)12-4-6-13(21-3)7-5-12/h4-9,15H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide?
N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)-4-methoxybenzamide is sourced from PubChem (CID 2953368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).