N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide

C20H24N2O2 — CID 75420595

IUPACN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)C(c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H24N2O2/c1-4-22(20(23)14(2)3)19(17-6-5-10-21-13-17)16-7-8-18-15(12-16)9-11-24-18/h5-8,10,12-14,19H,4,9,11H2,1-3H3
InChIKeyVHBAZZMLHDDXDF-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.61
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide

N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide (PubChem CID 75420595) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide
PubChem CID75420595
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide
SMILESCCN(C(=O)C(C)C)C(c1cccnc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C20H24N2O2/c1-4-22(20(23)14(2)3)19(17-6-5-10-21-13-17)16-7-8-18-15(12-16)9-11-24-18/h5-8,10,12-14,19H,4,9,11H2,1-3H3
InChIKeyVHBAZZMLHDDXDF-UHFFFAOYSA-N
XLogP3.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide (CID 75420595) is N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide is CCN(C(=O)C(C)C)C(c1cccnc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide?
The InChIKey is VHBAZZMLHDDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-4-22(20(23)14(2)3)19(17-6-5-10-21-13-17)16-7-8-18-15(12-16)9-11-24-18/h5-8,10,12-14,19H,4,9,11H2,1-3H3.
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide?
N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide has a molecular weight of 324.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1-benzofuran-5-yl(pyridin-3-yl)methyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 75420595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).