3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide

C20H22N2O2 — CID 55996601

IUPAC3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN(C)c2ccccc2)oc2c(C)cccc12
InChIInChI=1S/C20H22N2O2/c1-14-8-7-11-17-15(2)19(24-18(14)17)20(23)21-12-13-22(3)16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyKLAWQUSMRMIYEJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.92
Rot. Bonds5

About 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide

3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 55996601) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide
PubChem CID55996601
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCN(C)c2ccccc2)oc2c(C)cccc12
InChIInChI=1S/C20H22N2O2/c1-14-8-7-11-17-15(2)19(24-18(14)17)20(23)21-12-13-22(3)16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,21,23)
InChIKeyKLAWQUSMRMIYEJ-UHFFFAOYSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide (CID 55996601) is 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCN(C)c2ccccc2)oc2c(C)cccc12.
What is the InChIKey of 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is KLAWQUSMRMIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-8-7-11-17-15(2)19(24-18(14)17)20(23)21-12-13-22(3)16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide?
3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-[2-(N-methylanilino)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55996601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).