N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide

C18H19NO2 — CID 2738879

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C18H19NO2/c1-12-3-5-16(9-13(12)2)18(20)19-11-14-4-6-17-15(10-14)7-8-21-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyCLYXECZQRJJJCP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide (PubChem CID 2738879) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide
PubChem CID2738879
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1C
InChIInChI=1S/C18H19NO2/c1-12-3-5-16(9-13(12)2)18(20)19-11-14-4-6-17-15(10-14)7-8-21-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20)
InChIKeyCLYXECZQRJJJCP-UHFFFAOYSA-N
XLogP3.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide (CID 2738879) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2ccc3c(c2)CCO3)cc1C.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide?
The InChIKey is CLYXECZQRJJJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-12-3-5-16(9-13(12)2)18(20)19-11-14-4-6-17-15(10-14)7-8-21-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 2738879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).